2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H23N3O3S — CID 1468236

IUPAC2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(NC(=O)C3CCCCC3)nc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-12-16(18(24)21-14-9-6-10-15(11-14)25-2)26-19(20-12)22-17(23)13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyGQBYREKDUVBPMQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.23
Rot. Bonds5

About 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 1468236) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID1468236
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2sc(NC(=O)C3CCCCC3)nc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-12-16(18(24)21-14-9-6-10-15(11-14)25-2)26-19(20-12)22-17(23)13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyGQBYREKDUVBPMQ-UHFFFAOYSA-N
XLogP4.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468296
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-N-(3-methoxyphenyl)azetidine-3-carboxamide
CID 95851771
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
N-[3-(cyclobutanecarbonylamino)phenyl]-4-methoxybenzamide
CID 56948594
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 1468236) is 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cccc(NC(=O)c2sc(NC(=O)C3CCCCC3)nc2C)c1.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GQBYREKDUVBPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-16(18(24)21-14-9-6-10-15(11-14)25-2)26-19(20-12)22-17(23)13-7-4-3-5-8-13/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).