N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide

C15H12N2O2S2 — CID 25282897

IUPACN-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
SMILESCSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C15H12N2O2S2/c1-20-15-16-12(10-6-3-2-4-7-10)14(21-15)17-13(18)11-8-5-9-19-11/h2-9H,1H3,(H,17,18)
InChIKeyCMNJYSBAGBCSTO-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.38
Rot. Bonds4

About N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide

N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide (PubChem CID 25282897) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
PubChem CID25282897
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC NameN-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
SMILESCSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C15H12N2O2S2/c1-20-15-16-12(10-6-3-2-4-7-10)14(21-15)17-13(18)11-8-5-9-19-11/h2-9H,1H3,(H,17,18)
InChIKeyCMNJYSBAGBCSTO-UHFFFAOYSA-N
XLogP4.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 25283053
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 25282899
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 34924459
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-[2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868500
N-(4-oxo-6-phenyl-1,3-thiazin-2-yl)furan-2-carboxamide
CID 175842092
N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1208686

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide (CID 25282897) is N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide is CSc1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide?
The InChIKey is CMNJYSBAGBCSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-20-15-16-12(10-6-3-2-4-7-10)14(21-15)17-13(18)11-8-5-9-19-11/h2-9H,1H3,(H,17,18).
What are the key properties of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide?
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 25282897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).