5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)

C134H187ClF3N17S10 — CID 161347399

IUPAC5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)
SMILESCC(C)c1ncc(C(C)(C)C)s1.CC(C)c1ncc(N2CCC(C)(F)CC2)s1.CC(C)c1ncc(N2CCCC(C)(F)C2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC1CCN(c2cnc(C(C)C)s2)CC1.Cc1ccc(-c2cc(C(C)C)n(C)n2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)c(Cl)c1.Cc1ccc(-c2cnc(C(C)C)s2)c(F)c1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1cccc(-c2cnc(C(C)C)s2)c1
InChIInChI=1S/C14H18N2.C13H14ClNS.C13H14FNS.2C13H15NS.2C12H19FN2S.C12H20N2S.2C11H18N2S.C10H17NS/c1-10(2)14-9-13(15-16(14)4)12-7-5-11(3)6-8-12;2*1-8(2)13-15-7-12(16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)11-14-8-10(16-11)15-6-4-12(3,13)5-7-15;1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15;1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14;2*1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)9-11-6-8(12-9)10(3,4)5/h5-10H,1-4H3;2*4-8H,1-3H3;2*4-9H,1-3H3;8-9H,4-7H2,1-3H3;7,9H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;6-7H,1-5H3
InChIKeyVNMHHHQIAMDZMV-UHFFFAOYSA-N
MW2449.21 g/mol
LogP42.05
Rot. Bonds21

About 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)

5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) (PubChem CID 161347399) has the molecular formula C134H187ClF3N17S10 and a molecular weight of 2449.21 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole).

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)
PubChem CID161347399
Molecular FormulaC134H187ClF3N17S10
Molecular Weight2449.21 g/mol
Exact Mass2446.20
IUPAC Name5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)
SMILESCC(C)c1ncc(C(C)(C)C)s1.CC(C)c1ncc(N2CCC(C)(F)CC2)s1.CC(C)c1ncc(N2CCCC(C)(F)C2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC1CCN(c2cnc(C(C)C)s2)CC1.Cc1ccc(-c2cc(C(C)C)n(C)n2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)c(Cl)c1.Cc1ccc(-c2cnc(C(C)C)s2)c(F)c1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1cccc(-c2cnc(C(C)C)s2)c1
InChIInChI=1S/C14H18N2.C13H14ClNS.C13H14FNS.2C13H15NS.2C12H19FN2S.C12H20N2S.2C11H18N2S.C10H17NS/c1-10(2)14-9-13(15-16(14)4)12-7-5-11(3)6-8-12;2*1-8(2)13-15-7-12(16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)11-14-8-10(16-11)15-6-4-12(3,13)5-7-15;1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15;1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14;2*1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)9-11-6-8(12-9)10(3,4)5/h5-10H,1-4H3;2*4-8H,1-3H3;2*4-9H,1-3H3;8-9H,4-7H2,1-3H3;7,9H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;6-7H,1-5H3
InChIKeyVNMHHHQIAMDZMV-UHFFFAOYSA-N
XLogP42.05
TPSA162.92 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.21
LogP ≤ 542.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;1-fluoro-4-propan-2-ylbenzene;2-methyl-1,4-di(propan-2-yl)piperazine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
CID 162067574
1-Chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;2-chloro-6-methyl-4-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;2-chloro-4-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2-(difluoromethyl)-1-fluoro-4-propan-2-ylbenzene;bis(1,2-difluoro-3-methyl-5-propan-2-ylbenzene);1-(difluoromethyl)-3-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,1-difluoro-3-propan-2-ylcyclopentane;1-fluoro-2-isocyano-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-3-methyl-5-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-1-propan-2-ylcyclopentane;1-methyl-3-propan-2-ylpyrazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);propan-2-ylcyclopentane;2-propan-2-yl-1,3-thiazole;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 167544532
4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
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2-[1-[(2-Fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyrazine;2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-1,3-thiazole;2-[1-[(2-fluorophenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine
CID 157860734
5-Tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;1-methyl-5-(4-methylphenyl)-3-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)
CID 159318013
1-(2-Tert-butyl-4-chlorophenyl)triazole;2-(2-tert-butyl-4-chlorophenyl)triazole;2-(2-tert-butyl-4-fluorophenyl)triazole;2-(2-tert-butyl-5-fluorophenyl)triazole;1-tert-butyl-3-methylbenzene;2-tert-butyl-4-methyl-1-phenylbenzene;1-(2-tert-butyl-4-methylphenyl)pyrazole;2-(2-tert-butyl-4-methylphenyl)pyridine;3-(2-tert-butyl-4-methylphenyl)pyridine;4-(2-tert-butyl-4-methylphenyl)pyridine;4-tert-butyl-2-methyl-5-phenyl-1,3-thiazole;2-(2-tert-butyl-3-methylphenyl)triazole;2-(2-tert-butyl-4-methylphenyl)triazole;methane
CID 159362845
4-Chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole;4-chloro-2,5-dipyridin-3-yl-1,3-thiazole;4-chloro-5-(6-fluoro-2-pyridinyl)-2-pyridin-3-yl-1,3-thiazole;4-chloro-5-(6-methyl-2-pyridinyl)-2-pyridin-3-yl-1,3-thiazole;4-fluoro-5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 159946633
[3-Chloro-5-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[3-fluoro-4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[4-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]phenyl]-piperidin-1-ylmethanimine;[2-[(6-methylpyrazolo[5,4-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanimine;[2-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanimine;[5-[(6-methylpyrrolo[2,3-c]pyridin-6-ium-1-yl)methyl]thiophen-3-yl]-piperidin-1-ylmethanimine
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5-Tert-butyl-2-(4-tert-butyl-3-chlorophenyl)-1,3-thiazole;4-tert-butyl-1-(4-tert-butyl-3-chlorophenyl)triazole;4-tert-butyl-1-(4-tert-butyl-3-fluorophenyl)triazole;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-thiazole;4-tert-butyl-1-(4-tert-butylphenyl)triazole
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4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;bis(2-methyl-3-propan-2-ylpyridine);4-methyl-5-propan-2-yl-1,3-thiazole
CID 167677004
4-Chloro-1-methyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;bis(2,4-dimethyl-5-propan-2-yl-1,3-thiazole);1,3-dimethylpyrrole;1-ethyl-3-methyl-4-propan-2-ylpyrazole;1-fluoro-2,5-dimethyl-4-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-methyl-2-propan-2-ylbenzene;tetrakis(2-methyl-3-propan-2-ylpyridine);bis(4-methyl-5-propan-2-yl-1,3-thiazole)
CID 167710083

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) (CID 161347399) is 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole).
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) is CC(C)c1ncc(C(C)(C)C)s1.CC(C)c1ncc(N2CCC(C)(F)CC2)s1.CC(C)c1ncc(N2CCCC(C)(F)C2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC(C)c1ncc(N2CCCCC2)s1.CC1CCN(c2cnc(C(C)C)s2)CC1.Cc1ccc(-c2cc(C(C)C)n(C)n2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)c(Cl)c1.Cc1ccc(-c2cnc(C(C)C)s2)c(F)c1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1cccc(-c2cnc(C(C)C)s2)c1.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?
The InChIKey is VNMHHHQIAMDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H14ClNS.C13H14FNS.2C13H15NS.2C12H19FN2S.C12H20N2S.2C11H18N2S.C10H17NS/c1-10(2)14-9-13(15-16(14)4)12-7-5-11(3)6-8-12;2*1-8(2)13-15-7-12(16-13)10-5-4-9(3)6-11(10)14;1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-9(2)13-14-8-12(15-13)11-6-4-5-10(3)7-11;1-9(2)11-14-8-10(16-11)15-6-4-12(3,13)5-7-15;1-9(2)11-14-7-10(16-11)15-6-4-5-12(3,13)8-15;1-9(2)12-13-8-11(15-12)14-6-4-10(3)5-7-14;2*1-9(2)11-12-8-10(14-11)13-6-4-3-5-7-13;1-7(2)9-11-6-8(12-9)10(3,4)5/h5-10H,1-4H3;2*4-8H,1-3H3;2*4-9H,1-3H3;8-9H,4-7H2,1-3H3;7,9H,4-6,8H2,1-3H3;8-10H,4-7H2,1-3H3;2*8-9H,3-7H2,1-2H3;6-7H,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole)?
5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) has a molecular weight of 2449.21 g/mol, XLogP of 42.05, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-1,3-thiazole;5-(2-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(2-fluoro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(3-fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;5-(4-fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;1-methyl-3-(4-methylphenyl)-5-propan-2-ylpyrazole;5-(3-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;5-(4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole;bis(5-piperidin-1-yl-2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 161347399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).