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

C14H12N2O2S2 — CID 2666461

IUPAC3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2nccs2)oc2ccccc12
InChIInChI=1S/C14H12N2O2S2/c1-19-8-10-9-4-2-3-5-11(9)18-12(10)13(17)16-14-15-6-7-20-14/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyNNALNZOOKUKUSY-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.00
Rot. Bonds4

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

3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2666461) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2666461
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2nccs2)oc2ccccc12
InChIInChI=1S/C14H12N2O2S2/c1-19-8-10-9-4-2-3-5-11(9)18-12(10)13(17)16-14-15-6-7-20-14/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyNNALNZOOKUKUSY-UHFFFAOYSA-N
XLogP4.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
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-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2967498
5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770827
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
5-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 726956
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
Ethyl 2-(benzofuran-2-carboxamido)thiazole-4-carboxylate
CID 2308234
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2536951

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2666461) is 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is CSCc1c(C(=O)Nc2nccs2)oc2ccccc12.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NNALNZOOKUKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-19-8-10-9-4-2-3-5-11(9)18-12(10)13(17)16-14-15-6-7-20-14/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2666461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).