4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

C13H13N3O3S — CID 53158291

IUPAC4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2csc(C(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O3S/c1-19-9-4-2-8(3-5-9)6-15-12(18)10-7-20-13(16-10)11(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyTYXFBHJFDPEMCD-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.18
Rot. Bonds5

About 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158291) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158291
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2csc(C(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O3S/c1-19-9-4-2-8(3-5-9)6-15-12(18)10-7-20-13(16-10)11(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)
InChIKeyTYXFBHJFDPEMCD-UHFFFAOYSA-N
XLogP1.18
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158382
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158355
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
2-(2-aminoethyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626099
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117088936
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide (CID 53158291) is 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide is COc1ccc(CNC(=O)c2csc(C(N)=O)n2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is TYXFBHJFDPEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-19-9-4-2-8(3-5-9)6-15-12(18)10-7-20-13(16-10)11(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).