2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C13H10N2O2S — CID 116887739

IUPAC2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2coc3ccccc23)sc1C(N)=O
InChIInChI=1S/C13H10N2O2S/c1-7-11(12(14)16)18-13(15-7)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,14,16)
InChIKeySOSBTNUPPGZIBT-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.96
Rot. Bonds2

About 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116887739) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID116887739
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2coc3ccccc23)sc1C(N)=O
InChIInChI=1S/C13H10N2O2S/c1-7-11(12(14)16)18-13(15-7)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,14,16)
InChIKeySOSBTNUPPGZIBT-UHFFFAOYSA-N
XLogP2.96
TPSA69.12 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116887743
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510668
N-[[2-(1-benzofuran-3-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365059
4-(1-benzofuran-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867313
1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62699422
4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82425590
2-[2-(1-benzofuran-3-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888140
4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 12813043
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)chromen-4-one
CID 102104373
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 116887739) is 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2coc3ccccc23)sc1C(N)=O.
What is the InChIKey of 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SOSBTNUPPGZIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-7-11(12(14)16)18-13(15-7)9-6-17-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,14,16).
What are the key properties of 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116887739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).