N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide

C13H12N2OS2 — CID 107805757

IUPACN-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cccs2)c1C(N)=S
InChIInChI=1S/C13H12N2OS2/c1-8-4-2-5-9(11(8)12(14)17)15-13(16)10-6-3-7-18-10/h2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyBDZNKOJZLOMUSV-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.94
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide

N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide (PubChem CID 107805757) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
PubChem CID107805757
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cccs2)c1C(N)=S
InChIInChI=1S/C13H12N2OS2/c1-8-4-2-5-9(11(8)12(14)17)15-13(16)10-6-3-7-18-10/h2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyBDZNKOJZLOMUSV-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.94
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-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
CID 177168105
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 107805614
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 107805517

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide (CID 107805757) is N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2cccs2)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is BDZNKOJZLOMUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-8-4-2-5-9(11(8)12(14)17)15-13(16)10-6-3-7-18-10/h2-7H,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide?
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 276.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 107805757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).