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

C13H14N2O3S — CID 91460435

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cscn2)c1OC
InChIInChI=1S/C13H14N2O3S/c1-17-11-5-3-4-9(12(11)18-2)6-14-13(16)10-7-19-8-15-10/h3-5,7-8H,6H2,1-2H3,(H,14,16)
InChIKeySGGDSGJPTLLGIR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.09
Rot. Bonds5

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

N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 91460435) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID91460435
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cscn2)c1OC
InChIInChI=1S/C13H14N2O3S/c1-17-11-5-3-4-9(12(11)18-2)6-14-13(16)10-7-19-8-15-10/h3-5,7-8H,6H2,1-2H3,(H,14,16)
InChIKeySGGDSGJPTLLGIR-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide 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-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292671
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149665
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
N-[(2,3-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92600926
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 91460435) is N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(CNC(=O)c2cscn2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SGGDSGJPTLLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-11-5-3-4-9(12(11)18-2)6-14-13(16)10-7-19-8-15-10/h3-5,7-8H,6H2,1-2H3,(H,14,16).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91460435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).