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

C16H18N2O2S — CID 78810994

IUPACN-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O2S/c19-13-8-6-12(7-9-13)17-15(20)14-10-21-16(18-14)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2,(H,17,20)
InChIKeyWPYHOZFONWXXBS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.84
Rot. Bonds3

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

N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 78810994) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID78810994
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O2S/c19-13-8-6-12(7-9-13)17-15(20)14-10-21-16(18-14)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2,(H,17,20)
InChIKeyWPYHOZFONWXXBS-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488636
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
2-phenyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-4-carboxamide
CID 124759639
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 78810994) is N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NC1CCC(O)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is WPYHOZFONWXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-13-8-6-12(7-9-13)17-15(20)14-10-21-16(18-14)11-4-2-1-3-5-11/h1-5,10,12-13,19H,6-9H2,(H,17,20).
What are the key properties of N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78810994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).