4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide

C25H31N5O2S — CID 67432392

IUPAC4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCc1cc(Nc2nccc(C(C)(C)C)n2)cc(-c2cnc(C3(O)CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C25H31N5O2S/c1-15-11-17(13-18(12-15)29-23-27-10-7-20(30-23)24(2,3)4)19-14-28-22(33-19)25(32)8-5-16(6-9-25)21(26)31/h7,10-14,16,32H,5-6,8-9H2,1-4H3,(H2,26,31)(H,27,29,30)
InChIKeyIHPGVBBAARPXDK-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.81
Rot. Bonds5

About 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide

4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 67432392) has the molecular formula C25H31N5O2S and a molecular weight of 465.62 g/mol. Its IUPAC name is 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID67432392
Molecular FormulaC25H31N5O2S
Molecular Weight465.62 g/mol
Exact Mass465.22
IUPAC Name4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCc1cc(Nc2nccc(C(C)(C)C)n2)cc(-c2cnc(C3(O)CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C25H31N5O2S/c1-15-11-17(13-18(12-15)29-23-27-10-7-20(30-23)24(2,3)4)19-14-28-22(33-19)25(32)8-5-16(6-9-25)21(26)31/h7,10-14,16,32H,5-6,8-9H2,1-4H3,(H2,26,31)(H,27,29,30)
InChIKeyIHPGVBBAARPXDK-UHFFFAOYSA-N
XLogP4.81
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1S,3R)-3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 67432691
N-[(3,4-dihydroxyphenyl)methyl]-4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 67430660
4-[[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 123695480
1-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarbonyl]piperidine-2-carbonitrile
CID 140599020
(1R,2S,4S)-4-hydroxy-2-methyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67258934
4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 67432430
1-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 58456389
cis-(1S,4R)-4-[5-[3-[[4-(1-cyclopropyl-1-hydroxyethyl)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 67430696
4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-1,1-dioxothian-4-ol
CID 67258706
trans-(1S,4S)-4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 53251508
2-[4-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]phenyl]acetic acid
CID 67258196
1-methyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-4-ol
CID 122678424

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide (CID 67432392) is 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide is Cc1cc(Nc2nccc(C(C)(C)C)n2)cc(-c2cnc(C3(O)CCC(C(N)=O)CC3)s2)c1.
What is the InChIKey of 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is IHPGVBBAARPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-15-11-17(13-18(12-15)29-23-27-10-7-20(30-23)24(2,3)4)19-14-28-22(33-19)25(32)8-5-16(6-9-25)21(26)31/h7,10-14,16,32H,5-6,8-9H2,1-4H3,(H2,26,31)(H,27,29,30).
What are the key properties of 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide?
4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-tert-butylpyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 67432392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).