N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C13H10N2O2S — CID 2673057

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C13H10N2O2S/c1-8-7-14-13(18-8)15-12(16)11-6-9-4-2-3-5-10(9)17-11/h2-7H,1H3,(H,14,15,16)
InChIKeyIIXKKSDAQNQABI-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2673057) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2673057
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc3ccccc3o2)s1
InChIInChI=1S/C13H10N2O2S/c1-8-7-14-13(18-8)15-12(16)11-6-9-4-2-3-5-10(9)17-11/h2-7H,1H3,(H,14,15,16)
InChIKeyIIXKKSDAQNQABI-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzofuran-2-carboxylic acid (4,5-dimethyl-thiazol-2-yl)-amide
CID 734562
5-bromo-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2121869
5-ethoxy-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2440876
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
5-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084411
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2536951
5-{[(4-methylphenyl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2990742
N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 4782855
Methyl 4-methyl-2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 659858
N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]-2-furamide
CID 724162

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2673057) is N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1cnc(NC(=O)c2cc3ccccc3o2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is IIXKKSDAQNQABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-7-14-13(18-8)15-12(16)11-6-9-4-2-3-5-10(9)17-11/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2673057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).