N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide

C11H11BrN2OS — CID 2421188

IUPACN-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H11BrN2OS/c12-8-3-5-9(6-4-8)13-11(16)14-10(15)7-1-2-7/h3-7H,1-2H2,(H2,13,14,15,16)
InChIKeyQOYONIKOYHOIFG-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.67
Rot. Bonds2

About N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide

N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide (PubChem CID 2421188) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide
PubChem CID2421188
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)Nc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H11BrN2OS/c12-8-3-5-9(6-4-8)13-11(16)14-10(15)7-1-2-7/h3-7H,1-2H2,(H2,13,14,15,16)
InChIKeyQOYONIKOYHOIFG-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.67
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

6-(4-Bromo-phenylamino)-1H-pyrimidine-2,4-dione
CID 309876
N-[4-({[(cyclopropylcarbonyl)amino]carbothioyl}amino)phenyl]acetamide
CID 833425
N-[(4-bromo-3-chlorophenyl)carbamothioyl]cyclopropanecarboxamide
CID 833432
N-[(4-bromophenyl)carbamothioyl]cyclobutanecarboxamide
CID 1791701
N-[(4-bromo-3-methylphenyl)carbamothioyl]-3-methylbutanamide
CID 833919
N-[(4-bromophenyl)carbamothioyl]cyclohexanecarboxamide
CID 886172
N-[(4-bromo-2-methylphenyl)carbamothioyl]hexanamide
CID 1798157
N-[(4-bromo-3-methylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 2376105
N-[(2-bromophenyl)carbamothioyl]cyclopentanecarboxamide
CID 934950
N-[(2-bromophenyl)carbamothioyl]cyclopropanecarboxamide
CID 970763
N-[(2-bromophenyl)carbamothioyl]cyclobutanecarboxamide
CID 974476
N-[(2-bromophenyl)carbamothioyl]cyclohexanecarboxamide
CID 1284369

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide (CID 2421188) is N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide is O=C(NC(=S)Nc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide?
The InChIKey is QOYONIKOYHOIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-8-3-5-9(6-4-8)13-11(16)14-10(15)7-1-2-7/h3-7H,1-2H2,(H2,13,14,15,16).
What are the key properties of N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide?
N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide has a molecular weight of 299.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2421188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).