N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide

C11H11ClN2OS — CID 2198108

IUPACN-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)C1CC1
InChIInChI=1S/C11H11ClN2OS/c12-8-3-1-2-4-9(8)13-11(16)14-10(15)7-5-6-7/h1-4,7H,5-6H2,(H2,13,14,15,16)
InChIKeyBODCZIGGXYEQKC-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.56
Rot. Bonds2

About N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 2198108) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID2198108
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC NameN-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)C1CC1
InChIInChI=1S/C11H11ClN2OS/c12-8-3-1-2-4-9(8)13-11(16)14-10(15)7-5-6-7/h1-4,7H,5-6H2,(H2,13,14,15,16)
InChIKeyBODCZIGGXYEQKC-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Chlorophenyl)-3-phenyl-2-thiourea
CID 698358
N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 833432
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methylbutanamide
CID 951014
N-[[(2,3-Dichlorophenyl)amino]thioxomethyl]cyclopropanecarboxamide
CID 952267
N-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 1257250
N-[(3-chloro-4-methylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 1791390
N-{[(2-chlorophenyl)carbamothioyl]amino}cyclopropanecarboxamide
CID 717997
N-[(3-chlorophenyl)carbamothioyl]tetradecanamide
CID 54792119
N-[3-(acetylcarbamothioylamino)-4-chlorophenyl]propanamide
CID 894971
2,2-dichloro-1-methyl-N-[methyl(phenyl)carbamothioyl]cyclopropane-1-carboxamide
CID 3300772
N-[(2,4-dichlorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 833554
6-Amino-1-(4-chlorophenyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CID 821249

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide (CID 2198108) is N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)Nc1ccccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is BODCZIGGXYEQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-8-3-1-2-4-9(8)13-11(16)14-10(15)7-5-6-7/h1-4,7H,5-6H2,(H2,13,14,15,16).
What are the key properties of N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 254.74 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).