3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C14H12N2O2S — CID 7770823

IUPAC3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1csc(NC(=O)c2oc3ccccc3c2C)n1
InChIInChI=1S/C14H12N2O2S/c1-8-7-19-14(15-8)16-13(17)12-9(2)10-5-3-4-6-11(10)18-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeyXWTCXKKCZQASHJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

About 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 7770823) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID7770823
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1csc(NC(=O)c2oc3ccccc3c2C)n1
InChIInChI=1S/C14H12N2O2S/c1-8-7-19-14(15-8)16-13(17)12-9(2)10-5-3-4-6-11(10)18-12/h3-7H,1-2H3,(H,15,16,17)
InChIKeyXWTCXKKCZQASHJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 32863068
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7992606
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
4-[2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55528919
3-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 134041769
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2178225
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17218011
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide
CID 108811403

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 7770823) is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1csc(NC(=O)c2oc3ccccc3c2C)n1.
What is the InChIKey of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is XWTCXKKCZQASHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-7-19-14(15-8)16-13(17)12-9(2)10-5-3-4-6-11(10)18-12/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7770823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).