N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

C12H10ClN3OS2 — CID 107808615

IUPACN-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cs1
InChIInChI=1S/C12H10ClN3OS2/c1-6-15-10(5-19-6)12(17)16-9-3-2-7(11(14)18)4-8(9)13/h2-5H,1H3,(H2,14,18)(H,16,17)
InChIKeyMLXYJAGITWPHBC-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.99
Rot. Bonds3

About N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 107808615) has the molecular formula C12H10ClN3OS2 and a molecular weight of 311.82 g/mol. Its IUPAC name is N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID107808615
Molecular FormulaC12H10ClN3OS2
Molecular Weight311.82 g/mol
Exact Mass311.00
IUPAC NameN-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cs1
InChIInChI=1S/C12H10ClN3OS2/c1-6-15-10(5-19-6)12(17)16-9-3-2-7(11(14)18)4-8(9)13/h2-5H,1H3,(H2,14,18)(H,16,17)
InChIKeyMLXYJAGITWPHBC-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 107808410
N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
N-(2-chloro-4-cyanophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103799721
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(4-carbamothioyl-2-chlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 107808440
2-bromo-N-(4-carbamothioyl-2-chlorophenyl)-3-methylbenzamide
CID 107982299
N-(4-carbamothioyl-2-chlorophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107808445
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
N-(4-carbamothioyl-2-chlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107808560

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 107808615) is N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C(N)=S)cc2Cl)cs1.
What is the InChIKey of N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MLXYJAGITWPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS2/c1-6-15-10(5-19-6)12(17)16-9-3-2-7(11(14)18)4-8(9)13/h2-5H,1H3,(H2,14,18)(H,16,17).
What are the key properties of N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 311.82 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107808615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).