N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide

C15H16N2OS2 — CID 65238953

IUPACN-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C15H16N2OS2/c1-8-4-5-11(14(16)19)7-12(8)17-15(18)13-6-9(2)10(3)20-13/h4-7H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyZSLUTFSLBBUSLT-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.56
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65238953) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65238953
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C15H16N2OS2/c1-8-4-5-11(14(16)19)7-12(8)17-15(18)13-6-9(2)10(3)20-13/h4-7H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyZSLUTFSLBBUSLT-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061535
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107014898
3-bromo-N-(5-carbamothioyl-2-methylphenyl)-5-chlorobenzamide
CID 107938969
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 65238953) is N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1ccc(C(N)=S)cc1NC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ZSLUTFSLBBUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-8-4-5-11(14(16)19)7-12(8)17-15(18)13-6-9(2)10(3)20-13/h4-7H,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65238953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).