N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

C20H26N2O3S — CID 131941918

IUPACN-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2csc(C)n2)C2CCCCC2)c1
InChIInChI=1S/C20H26N2O3S/c1-14-21-18(13-26-14)20(23)22(16-7-5-4-6-8-16)12-15-11-17(24-2)9-10-19(15)25-3/h9-11,13,16H,4-8,12H2,1-3H3
InChIKeyAHNXZPFDHKHTHN-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.44
Rot. Bonds6

About N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 131941918) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID131941918
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2csc(C)n2)C2CCCCC2)c1
InChIInChI=1S/C20H26N2O3S/c1-14-21-18(13-26-14)20(23)22(16-7-5-4-6-8-16)12-15-11-17(24-2)9-10-19(15)25-3/h9-11,13,16H,4-8,12H2,1-3H3
InChIKeyAHNXZPFDHKHTHN-UHFFFAOYSA-N
XLogP4.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
N-(2-chloroethyl)-N-cyclohexyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65198822
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 102684996
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420384
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65199839

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 131941918) is N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc(OC)c(CN(C(=O)c2csc(C)n2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is AHNXZPFDHKHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-21-18(13-26-14)20(23)22(16-7-5-4-6-8-16)12-15-11-17(24-2)9-10-19(15)25-3/h9-11,13,16H,4-8,12H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131941918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).