N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide

C11H10Cl2N2OS — CID 4928756

IUPACN-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-7-3-4-8(13)9(5-7)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
InChIKeyQJTSNNTYCKCDFA-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.22
Rot. Bonds2

About N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 4928756) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID4928756
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC NameN-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-7-3-4-8(13)9(5-7)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)
InChIKeyQJTSNNTYCKCDFA-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide 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-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]cyclopropanecarboxamide
CID 17174622
N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4056583
N-[(2,5-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787498
5-[4-chloro-3-(cyclohexanecarbonylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91687917
N-[[2-chloro-4-[[3-chloro-4-(cyclopentanecarbonylcarbamothioylamino)phenyl]methyl]phenyl]carbamothioyl]cyclopentanecarboxamide
CID 5220233
N-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147476
2,4-dichloro-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761537
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381
5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 22775522
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515
N-[(2,5-dichlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 1335803

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide (CID 4928756) is N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)Nc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is QJTSNNTYCKCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-7-3-4-8(13)9(5-7)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17).
What are the key properties of N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 289.19 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 4928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).