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

C15H12N2OS3 — CID 25282899

IUPACN-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
SMILESCSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1
InChIInChI=1S/C15H12N2OS3/c1-19-15-16-12(10-6-3-2-4-7-10)14(21-15)17-13(18)11-8-5-9-20-11/h2-9H,1H3,(H,17,18)
InChIKeyOJRHGGBEUZIFOS-UHFFFAOYSA-N
MW332.48 g/mol
LogP4.85
Rot. Bonds4

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

N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide (PubChem CID 25282899) has the molecular formula C15H12N2OS3 and a molecular weight of 332.48 g/mol. Its IUPAC name is N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
PubChem CID25282899
Molecular FormulaC15H12N2OS3
Molecular Weight332.48 g/mol
Exact Mass332.01
IUPAC NameN-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
SMILESCSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1
InChIInChI=1S/C15H12N2OS3/c1-19-15-16-12(10-6-3-2-4-7-10)14(21-15)17-13(18)11-8-5-9-20-11/h2-9H,1H3,(H,17,18)
InChIKeyOJRHGGBEUZIFOS-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 54.85
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]thiophene-2-carboxamide
CID 25283056
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
N-[2-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 92947302
N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 135555294
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598
N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 163347744
N-(6-phenyl-2-pyridinyl)thiophene-2-carboxamide
CID 110482191
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)carbamothioyl]thiophene-2-carboxamide
CID 90601820
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
N-[4-(2-phenylquinazolin-4-yl)phenyl]thiophene-2-carboxamide
CID 126189754

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide (CID 25282899) is N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide is CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1.
What is the InChIKey of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is OJRHGGBEUZIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS3/c1-19-15-16-12(10-6-3-2-4-7-10)14(21-15)17-13(18)11-8-5-9-20-11/h2-9H,1H3,(H,17,18).
What are the key properties of N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide?
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide has a molecular weight of 332.48 g/mol, XLogP of 4.85, 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)thiophene-2-carboxamide is sourced from PubChem (CID 25282899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).