3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide

C15H14N2O2S — CID 49357654

IUPAC3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2nccs2)oc2ccccc12
InChIInChI=1S/C15H14N2O2S/c1-10-11-4-2-3-5-12(11)19-14(10)15(18)17-7-6-13-16-8-9-20-13/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyJBTSUSGTBPLIBW-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 49357654) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID49357654
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2nccs2)oc2ccccc12
InChIInChI=1S/C15H14N2O2S/c1-10-11-4-2-3-5-12(11)19-14(10)15(18)17-7-6-13-16-8-9-20-13/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyJBTSUSGTBPLIBW-UHFFFAOYSA-N
XLogP3.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 54773756
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
3-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1-benzofuran-2-carboxamide
CID 91947627

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 49357654) is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2nccs2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is JBTSUSGTBPLIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-11-4-2-3-5-12(11)19-14(10)15(18)17-7-6-13-16-8-9-20-13/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 49357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).