N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide

C11H11ClN2OS — CID 64916810

IUPACN-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)C1CC1
InChIInChI=1S/C11H11ClN2OS/c12-7-3-4-8(10(13)16)9(5-7)14-11(15)6-1-2-6/h3-6H,1-2H2,(H2,13,16)(H,14,15)
InChIKeyXXLOYKHPBVYOFM-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.32
Rot. Bonds3

About N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide

N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide (PubChem CID 64916810) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
PubChem CID64916810
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)C1CC1
InChIInChI=1S/C11H11ClN2OS/c12-7-3-4-8(10(13)16)9(5-7)14-11(15)6-1-2-6/h3-6H,1-2H2,(H2,13,16)(H,14,15)
InChIKeyXXLOYKHPBVYOFM-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.32
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

N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
CID 107798666
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
N-(5-bromo-2-carbamothioylphenyl)cyclopentanecarboxamide
CID 114002608
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933
N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
CID 79156263
N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155869
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
2-[(3-aminocyclohexanecarbonyl)amino]-4-chlorobenzoic acid
CID 63046093
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
1-tert-butyl-3-(2-carbamothioyl-5-chlorophenyl)urea
CID 64917889
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
CID 104670500

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide (CID 64916810) is N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide is NC(=S)c1ccc(Cl)cc1NC(=O)C1CC1.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide?
The InChIKey is XXLOYKHPBVYOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-7-3-4-8(10(13)16)9(5-7)14-11(15)6-1-2-6/h3-6H,1-2H2,(H2,13,16)(H,14,15).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide?
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide has a molecular weight of 254.74 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 64916810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).