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

C19H17N3O3S — CID 84555626

IUPACN-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NCc3ccccc3)cs2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-15-9-7-14(8-10-15)17(23)22-19-21-16(12-26-19)18(24)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyULABIJLSRPYCRD-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.33
Rot. Bonds6

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

N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84555626) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84555626
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NCc3ccccc3)cs2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-15-9-7-14(8-10-15)17(23)22-19-21-16(12-26-19)18(24)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyULABIJLSRPYCRD-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555699
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
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
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550351
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 84555626) is N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)NCc3ccccc3)cs2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ULABIJLSRPYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-15-9-7-14(8-10-15)17(23)22-19-21-16(12-26-19)18(24)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84555626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).