N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide

C17H20N2OS — CID 46823386

IUPACN-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-19(14-10-6-3-7-11-14)17(20)15-12-21-16(18-15)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
InChIKeyCQSNGZIYKVRELK-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.21
Rot. Bonds3

About N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46823386) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46823386
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-19(14-10-6-3-7-11-14)17(20)15-12-21-16(18-15)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
InChIKeyCQSNGZIYKVRELK-UHFFFAOYSA-N
XLogP4.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84557675
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119443831
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-methyl-2-[methyl-(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119200022
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide (CID 46823386) is N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is CQSNGZIYKVRELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19(14-10-6-3-7-11-14)17(20)15-12-21-16(18-15)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46823386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).