N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

C16H14N2O3S2 — CID 17402075

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2nc(C(C)=O)cs2)oc2ccccc12
InChIInChI=1S/C16H14N2O3S2/c1-9(19)12-8-23-16(17-12)18-15(20)14-11(7-22-2)10-5-3-4-6-13(10)21-14/h3-6,8H,7H2,1-2H3,(H,17,18,20)
InChIKeyZQFFBYDIZVIJFS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.21
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 17402075) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID17402075
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2nc(C(C)=O)cs2)oc2ccccc12
InChIInChI=1S/C16H14N2O3S2/c1-9(19)12-8-23-16(17-12)18-15(20)14-11(7-22-2)10-5-3-4-6-13(10)21-14/h3-6,8H,7H2,1-2H3,(H,17,18,20)
InChIKeyZQFFBYDIZVIJFS-UHFFFAOYSA-N
XLogP4.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 17402075) is N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is CSCc1c(C(=O)Nc2nc(C(C)=O)cs2)oc2ccccc12.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZQFFBYDIZVIJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-9(19)12-8-23-16(17-12)18-15(20)14-11(7-22-2)10-5-3-4-6-13(10)21-14/h3-6,8H,7H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17402075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).