4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine

C123H139Cl6N17O4S6 — CID 158604740

IUPAC4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)N1Cc2cccnc2C1.CC(C)c1cc(Cl)c2nc(C(C)C)sc2c1.CC(C)c1cc(Cl)c2nc(N)sc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2ncccc2[nH]1.Cc1nc2c(Cl)cc(C(C)C)cc2s1.Cc1nc2c(Cl)cc(C(C)C)cc2s1
InChIInChI=1S/C13H16ClNS.2C11H12ClNS.C10H11ClN2S.C10H10ClNO.C10H10ClNS.C10H14N2.2C10H11NO.C10H11NS.C9H11N3.C9H10N2O/c1-7(2)9-5-10(14)12-11(6-9)16-13(15-12)8(3)4;2*1-6(2)8-4-9(12)11-10(5-8)14-7(3)13-11;1-5(2)6-3-7(11)9-8(4-6)14-10(12)13-9;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8/h5-8H,1-4H3;2*4-6H,1-3H3;3-5H,1-2H3,(H2,12,13);2*3-6H,1-2H3;3-5,8H,6-7H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3
InChIKeyHWBPNYUAJYYTKV-UHFFFAOYSA-N
MW2324.70 g/mol
LogP40.85
Rot. Bonds13

About 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine

4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 158604740) has the molecular formula C123H139Cl6N17O4S6 and a molecular weight of 2324.70 g/mol. Its IUPAC name is 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID158604740
Molecular FormulaC123H139Cl6N17O4S6
Molecular Weight2324.70 g/mol
Exact Mass2319.77
IUPAC Name4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)N1Cc2cccnc2C1.CC(C)c1cc(Cl)c2nc(C(C)C)sc2c1.CC(C)c1cc(Cl)c2nc(N)sc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2ncccc2[nH]1.Cc1nc2c(Cl)cc(C(C)C)cc2s1.Cc1nc2c(Cl)cc(C(C)C)cc2s1
InChIInChI=1S/C13H16ClNS.2C11H12ClNS.C10H11ClN2S.C10H10ClNO.C10H10ClNS.C10H14N2.2C10H11NO.C10H11NS.C9H11N3.C9H10N2O/c1-7(2)9-5-10(14)12-11(6-9)16-13(15-12)8(3)4;2*1-6(2)8-4-9(12)11-10(5-8)14-7(3)13-11;1-5(2)6-3-7(11)9-8(4-6)14-10(12)13-9;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8/h5-8H,1-4H3;2*4-6H,1-3H3;3-5H,1-2H3,(H2,12,13);2*3-6H,1-2H3;3-5,8H,6-7H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3
InChIKeyHWBPNYUAJYYTKV-UHFFFAOYSA-N
XLogP40.85
TPSA278.07 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002324.70
LogP ≤ 540.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-amino-3-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]pyridin-2-one;1-[6-amino-3-(4-chloro-1,3-benzoxazol-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;N-[5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]benzamide
CID 157049985
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;8-chloro-6-propan-2-ylquinoline;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 157265856
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;6-tert-butyl-4-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine
CID 157348655
4,5-diphenyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-2-propan-2-ylimidazole;4-phenyl-2-propan-2-yl-1H-benzimidazole;6-phenyl-2-propan-2-yl-1H-benzimidazole;7-phenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-phenyl-2-propan-2-yl-1H-imidazo[4,5-c]pyridine;7-phenyl-2-propan-2-yl-3H-imidazo[4,5-c]pyridine;5-phenyl-2-propan-2-yl-1H-imidazole;6-phenyl-8-propan-2-yl-7H-purine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;toluene
CID 157412447
5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzoxazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butylfuro[3,2-c]pyridin-6-amine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine;bis(2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-6-amine);3-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridin-6-amine
CID 157412958
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;8-chloro-6-propan-2-ylquinoline;8-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;6-propan-2-ylquinoline
CID 157450097
1-benzofuran;bis(1,3-benzothiazole);bis(1,3-benzoxazole);4-chloro-2-methyl-1H-indene;5H-cyclopenta[d]pyrimidine;2,4-dimethyl-1H-indene;bis(2,7-dimethyl-3H-inden-5-ol);bis((2,7-dimethyl-3H-inden-5-yl)methanol);6-ethoxy-2-methyl-1H-indene;imidazo[1,2-a]pyridine;1H-indene;methane;2-methyl-1H-indene;4-methyl-1H-indene;7H-purine;1H-pyrrolo[2,3-b]pyridine
CID 157543095
4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole;4-chloro-2-methyl-6-propan-2-yl-1,3-benzoxazole;7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;7-chloro-5-propan-2-yl-1H-indazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-6-propan-2-ylbenzimidazole;bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
CID 157687464
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;6-tert-butyl-4-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one;3-tert-butyl-5-methylpyridin-2-amine;3-tert-butyl-6-methylpyridin-2-amine;3-tert-butylpyridin-2-amine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine;methane
CID 157996603
4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;2-chloro-6-propan-2-yl-1H-indol-4-ol;2-methoxy-6-propan-2-ylquinoline;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-ylquinoline;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol;6-propan-2-ylquinoline
CID 158069535
propyl 4-[2-(1,3-benzoxazol-5-yl)-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(2-cyclopropylacetyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-[4-(ethylcarbamoyl)phenyl]quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methylbenzimidazol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzothiazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1,3-benzoxazol-6-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-1H-indol-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1H-pyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1,2,5-trimethylpyrrol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate
CID 158096423
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 158161486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (CID 158604740) is 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is CC(C)N1Cc2cccnc2C1.CC(C)c1cc(Cl)c2nc(C(C)C)sc2c1.CC(C)c1cc(Cl)c2nc(N)sc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(Cl)c2ncsc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2ncccc2[nH]1.Cc1nc2c(Cl)cc(C(C)C)cc2s1.Cc1nc2c(Cl)cc(C(C)C)cc2s1.
What is the InChIKey of 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is HWBPNYUAJYYTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS.2C11H12ClNS.C10H11ClN2S.C10H10ClNO.C10H10ClNS.C10H14N2.2C10H11NO.C10H11NS.C9H11N3.C9H10N2O/c1-7(2)9-5-10(14)12-11(6-9)16-13(15-12)8(3)4;2*1-6(2)8-4-9(12)11-10(5-8)14-7(3)13-11;1-5(2)6-3-7(11)9-8(4-6)14-10(12)13-9;2*1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;2*1-6(2)8-11-7-4-3-5-10-9(7)12-8/h5-8H,1-4H3;2*4-6H,1-3H3;3-5H,1-2H3,(H2,12,13);2*3-6H,1-2H3;3-5,8H,6-7H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3.
What are the key properties of 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 2324.70 g/mol, XLogP of 40.85, 13 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-di(propan-2-yl)-1,3-benzothiazole;bis(4-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole);4-chloro-6-propan-2-yl-1,3-benzothiazol-2-amine;4-chloro-6-propan-2-yl-1,3-benzothiazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 158604740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).