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

C15H14N2O2S2 — CID 17460072

IUPAC3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2ncc(C)s2)oc2ccccc12
InChIInChI=1S/C15H14N2O2S2/c1-9-7-16-15(21-9)17-14(18)13-11(8-20-2)10-5-3-4-6-12(10)19-13/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeySQVWMSFZVNQFAE-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.31
Rot. Bonds4

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

3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 17460072) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID17460072
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCSCc1c(C(=O)Nc2ncc(C)s2)oc2ccccc12
InChIInChI=1S/C15H14N2O2S2/c1-9-7-16-15(21-9)17-14(18)13-11(8-20-2)10-5-3-4-6-12(10)19-13/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeySQVWMSFZVNQFAE-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
3-(methylsulfanylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 17406317
N-(4-acetyl-1,3-thiazol-2-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17402075
N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17438326
N-(4-bromo-2-methylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 26731468
N-(3-acetylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 2679006
3-(methylsulfanylmethyl)-N-(3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 4780812
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 4799935
3-(methoxymethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 55807334
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
3-(cyclohexylsulfanylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2428273

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 17460072) is 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is CSCc1c(C(=O)Nc2ncc(C)s2)oc2ccccc12.
What is the InChIKey of 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is SQVWMSFZVNQFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-9-7-16-15(21-9)17-14(18)13-11(8-20-2)10-5-3-4-6-12(10)19-13/h3-7H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17460072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).