1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C11H10Cl2N2OS — CID 80591867

IUPAC1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-6-3-7(13)5-8(4-6)15-10(16)11(1-2-11)9(14)17/h3-5H,1-2H2,(H2,14,17)(H,15,16)
InChIKeyBJOGZMGZRIBDCZ-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.00
Rot. Bonds3

About 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 80591867) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID80591867
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C11H10Cl2N2OS/c12-6-3-7(13)5-8(4-6)15-10(16)11(1-2-11)9(14)17/h3-5H,1-2H2,(H2,14,17)(H,15,16)
InChIKeyBJOGZMGZRIBDCZ-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.00
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-N'-(3,5-dichlorophenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981521
1-carbamothioyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
CID 80590029
N-(3-bromo-5-methylphenyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 107583687
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
1-carbamothioyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 80592502
N-(3,5-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971734
1-carbamothioyl-N-(2-chloro-4-iodophenyl)cyclopropane-1-carboxamide
CID 107605680
ethyl 1-[(3,5-dichlorophenyl)carbamoyl]cyclobutane-1-carboxylate
CID 19096840
1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
CID 79049329
N-(3,5-dichlorophenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973199
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80589522
1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 80591867) is 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is NC(=S)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is BJOGZMGZRIBDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-6-3-7(13)5-8(4-6)15-10(16)11(1-2-11)9(14)17/h3-5H,1-2H2,(H2,14,17)(H,15,16).
What are the key properties of 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 289.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80591867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).