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

C14H12N2O2S — CID 7944194

IUPAC3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)/N=c2/sccn2C)oc2ccccc12
InChIInChI=1S/C14H12N2O2S/c1-9-10-5-3-4-6-11(10)18-12(9)13(17)15-14-16(2)7-8-19-14/h3-8H,1-2H3/b15-14+
InChIKeyPPNFGZBWASKBRQ-CCEZHUSRSA-N
MW272.33 g/mol
LogP2.88
Rot. Bonds1

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

3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide (PubChem CID 7944194) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide
PubChem CID7944194
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)/N=c2/sccn2C)oc2ccccc12
InChIInChI=1S/C14H12N2O2S/c1-9-10-5-3-4-6-11(10)18-12(9)13(17)15-14-16(2)7-8-19-14/h3-8H,1-2H3/b15-14+
InChIKeyPPNFGZBWASKBRQ-CCEZHUSRSA-N
XLogP2.88
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide
CID 24660492
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-4-carboxamide
CID 31303207
3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38162531
N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
CID 38163154
(3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 28880620
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
(3-methyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 9120102
N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652781
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
CID 131232981

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide (CID 7944194) is 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide is Cc1c(C(=O)/N=c2/sccn2C)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide?
The InChIKey is PPNFGZBWASKBRQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9-10-5-3-4-6-11(10)18-12(9)13(17)15-14-16(2)7-8-19-14/h3-8H,1-2H3/b15-14+.
What are the key properties of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide?
3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7944194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).