cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole

C93H119N13O2S3 — CID 158765670

IUPACcumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccccc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn2ccccc2n1.CC(C)c1cn[nH]c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1
InChIInChI=1S/2C12H13N.C10H12N2.2C10H11NS.C9H12.2C6H10N2.2C6H9NO.C6H9NS/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h2*3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyIPFNVRJROWYTIO-UHFFFAOYSA-N
MW1547.26 g/mol
LogP27.75
Rot. Bonds11

About cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole

cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole (PubChem CID 158765670) has the molecular formula C93H119N13O2S3 and a molecular weight of 1547.26 g/mol. Its IUPAC name is cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
PubChem CID158765670
Molecular FormulaC93H119N13O2S3
Molecular Weight1547.26 g/mol
Exact Mass1545.88
IUPAC Namecumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccccc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn2ccccc2n1.CC(C)c1cn[nH]c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1
InChIInChI=1S/2C12H13N.C10H12N2.2C10H11NS.C9H12.2C6H10N2.2C6H9NO.C6H9NS/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h2*3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyIPFNVRJROWYTIO-UHFFFAOYSA-N
XLogP27.75
TPSA191.17 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001547.26
LogP ≤ 527.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

CID 167564541
CID 167564541
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[4-(1,2,3-benzothiadiazol-4-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-3-thiophen-2-ylimidazol-2-yl]-1,2-oxazole
CID 141028377
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
3-[2-cinnolin-3-yl-6-(1H-indazol-3-yl)-4-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-5,7-bis(1,3-thiazol-2-yl)-2H-quinazolin-8-yl]-1,2-oxazole
CID 141064198
N-[[6-(1,3-benzothiazol-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;3-methyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,2-oxazole;6-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]quinoline
CID 143611179
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
1-benzothiophene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157229700
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739
5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
CID 157388119

Frequently Asked Questions

What is the IUPAC name of cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
The IUPAC name of cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole (CID 158765670) is cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole is CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccccc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn2ccccc2n1.CC(C)c1cn[nH]c1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc[nH]1.CC(C)c1nc2ccccc2s1.CC(C)c1nccs1.
What is the InChIKey of cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
The InChIKey is IPFNVRJROWYTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C10H12N2.2C10H11NS.C9H12.2C6H10N2.2C6H9NO.C6H9NS/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h2*3-9H,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;2*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3.
What are the key properties of cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole?
cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole has a molecular weight of 1547.26 g/mol, XLogP of 27.75, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158765670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).