2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C20H19N3O3S — CID 84555698

IUPAC2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NCc3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-3-5-14(6-4-13)11-21-19(25)17-12-27-20(22-17)23-18(24)15-7-9-16(26-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyBLDJDGZGODCYIT-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.64
Rot. Bonds6

About 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 84555698) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID84555698
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NCc3ccc(C)cc3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-3-5-14(6-4-13)11-21-19(25)17-12-27-20(22-17)23-18(24)15-7-9-16(26-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyBLDJDGZGODCYIT-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555699
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627
N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555706
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 84555698) is 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)NCc3ccc(C)cc3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BLDJDGZGODCYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-3-5-14(6-4-13)11-21-19(25)17-12-27-20(22-17)23-18(24)15-7-9-16(26-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84555698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).