5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C15H12N2O2S2 — CID 2146631

IUPAC5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C15H12N2O2S2/c18-14(17-15-16-8-9-20-15)13-7-6-11(19-13)10-21-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17,18)
InChIKeyZRWBLUCDUSOAFY-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.28
Rot. Bonds5

About 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2146631) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2146631
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C15H12N2O2S2/c18-14(17-15-16-8-9-20-15)13-7-6-11(19-13)10-21-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17,18)
InChIKeyZRWBLUCDUSOAFY-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003032
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide
CID 903491
5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide
CID 2466262
5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2967498
N-(4-methyl-1,3-thiazol-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 4791237
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
5-[(4-chlorophenoxy)methyl]-N-1,3-thiazol-2-yl-2-furamide
CID 717217
5-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 726956
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
5-{[(4-methylphenyl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2990742
N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 746004

Frequently Asked Questions

What is the IUPAC name of 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 2146631) is 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nccs1)c1ccc(CSc2ccccc2)o1.
What is the InChIKey of 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is ZRWBLUCDUSOAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-14(17-15-16-8-9-20-15)13-7-6-11(19-13)10-21-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17,18).
What are the key properties of 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2146631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).