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

C13H10Cl2N2OS2 — CID 107808410

IUPACN-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(C(N)=S)cc2Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2OS2/c1-6-5-20-11(10(6)15)13(18)17-9-3-2-7(12(16)19)4-8(9)14/h2-5H,1H3,(H2,16,19)(H,17,18)
InChIKeySRMVHDTZOUFEGS-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.25
Rot. Bonds3

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

N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 107808410) has the molecular formula C13H10Cl2N2OS2 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID107808410
Molecular FormulaC13H10Cl2N2OS2
Molecular Weight345.28 g/mol
Exact Mass343.96
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(C(N)=S)cc2Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2OS2/c1-6-5-20-11(10(6)15)13(18)17-9-3-2-7(12(16)19)4-8(9)14/h2-5H,1H3,(H2,16,19)(H,17,18)
InChIKeySRMVHDTZOUFEGS-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.25
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

3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
3-chloro-N-[2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103405046
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
3-chloro-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809864
N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107808445
3-chloro-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 103401716

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 107808410) is N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(C(N)=S)cc2Cl)c1Cl.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is SRMVHDTZOUFEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS2/c1-6-5-20-11(10(6)15)13(18)17-9-3-2-7(12(16)19)4-8(9)14/h2-5H,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 345.28 g/mol, XLogP of 4.25, 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)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 107808410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).