methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate

C16H14N2O4S — CID 659858

IUPACmethyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C
InChIInChI=1S/C16H14N2O4S/c1-8-10-6-4-5-7-11(10)22-12(8)14(19)18-16-17-9(2)13(23-16)15(20)21-3/h4-7H,1-3H3,(H,17,18,19)
InChIKeyWAQUXPJQQQNVKP-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.55
Rot. Bonds3

About methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 659858) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID659858
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Namemethyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C
InChIInChI=1S/C16H14N2O4S/c1-8-10-6-4-5-7-11(10)22-12(8)14(19)18-16-17-9(2)13(23-16)15(20)21-3/h4-7H,1-3H3,(H,17,18,19)
InChIKeyWAQUXPJQQQNVKP-UHFFFAOYSA-N
XLogP3.55
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 659858) is methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2oc3ccccc3c2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WAQUXPJQQQNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-8-10-6-4-5-7-11(10)22-12(8)14(19)18-16-17-9(2)13(23-16)15(20)21-3/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 659858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).