2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide

C18H22N2O2S — CID 110909676

IUPAC2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c(C)c1
InChIInChI=1S/C18H22N2O2S/c1-11-3-8-15(12(2)9-11)18-20-16(10-23-18)17(22)19-13-4-6-14(21)7-5-13/h3,8-10,13-14,21H,4-7H2,1-2H3,(H,19,22)
InChIKeyQXCALBXMOWDIJT-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.46
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide

2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 110909676) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID110909676
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c(C)c1
InChIInChI=1S/C18H22N2O2S/c1-11-3-8-15(12(2)9-11)18-20-16(10-23-18)17(22)19-13-4-6-14(21)7-5-13/h3,8-10,13-14,21H,4-7H2,1-2H3,(H,19,22)
InChIKeyQXCALBXMOWDIJT-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 95778148
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18163813
N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 86867681
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 86883809
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120598681
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24660099
N-(4-hydroxycyclohexyl)-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-thiazole-4-carboxamide
CID 58496311

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide (CID 110909676) is 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QXCALBXMOWDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11-3-8-15(12(2)9-11)18-20-16(10-23-18)17(22)19-13-4-6-14(21)7-5-13/h3,8-10,13-14,21H,4-7H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).