N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide

C13H11ClN2OS2 — CID 107808571

IUPACN-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C13H11ClN2OS2/c1-7-5-19-6-9(7)13(17)16-11-3-2-8(12(15)18)4-10(11)14/h2-6H,1H3,(H2,15,18)(H,16,17)
InChIKeyRHRWQUKPWIDXCQ-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.60
Rot. Bonds3

About N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide

N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide (PubChem CID 107808571) has the molecular formula C13H11ClN2OS2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
PubChem CID107808571
Molecular FormulaC13H11ClN2OS2
Molecular Weight310.83 g/mol
Exact Mass310.00
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C13H11ClN2OS2/c1-7-5-19-6-9(7)13(17)16-11-3-2-8(12(15)18)4-10(11)14/h2-6H,1H3,(H2,15,18)(H,16,17)
InChIKeyRHRWQUKPWIDXCQ-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.60
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-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802377
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-2-fluorobenzamide
CID 107808358
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
N-(4-carbamothioyl-2-chlorophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107808537
N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107808560
N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107808445

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide (CID 107808571) is N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ccc(C(N)=S)cc1Cl.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is RHRWQUKPWIDXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS2/c1-7-5-19-6-9(7)13(17)16-11-3-2-8(12(15)18)4-10(11)14/h2-6H,1H3,(H2,15,18)(H,16,17).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide?
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 107808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).