4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide

C14H18ClN3S — CID 8626878

IUPAC4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide
SMILESS=C(NC1CC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClN3S/c15-12-3-1-2-4-13(12)17-7-9-18(10-8-17)14(19)16-11-5-6-11/h1-4,11H,5-10H2,(H,16,19)
InChIKeyAJMRRNUJCXETPT-UHFFFAOYSA-N
MW295.84 g/mol
LogP2.50
Rot. Bonds2

About 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide

4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide (PubChem CID 8626878) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide
PubChem CID8626878
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide
SMILESS=C(NC1CC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClN3S/c15-12-3-1-2-4-13(12)17-7-9-18(10-8-17)14(19)16-11-5-6-11/h1-4,11H,5-10H2,(H,16,19)
InChIKeyAJMRRNUJCXETPT-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide 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

4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-(2-chlorophenyl)-N-propan-2-ylpiperazine-1-carbothioamide
CID 8626833
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carbothioamide
CID 20787689
N-cyclopentyl-4-phenylpiperazine-1-carbothioamide
CID 892113
N-cyclopentyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide
CID 17371349
N-cyclopentyl-4-(2-ethoxyphenyl)piperazine-1-carbothioamide
CID 19655264
4-benzyl-N-cyclopropylpiperazine-1-carbothioamide
CID 7942209
4-(2-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8626829
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
CID 142506773
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carbothioamide
CID 162655838
N-cyclopropylazocane-1-carbothioamide
CID 115570256

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide?
The IUPAC name of 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide (CID 8626878) is 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide is S=C(NC1CC1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide?
The InChIKey is AJMRRNUJCXETPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c15-12-3-1-2-4-13(12)17-7-9-18(10-8-17)14(19)16-11-5-6-11/h1-4,11H,5-10H2,(H,16,19).
What are the key properties of 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide?
4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide has a molecular weight of 295.84 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-cyclopropylpiperazine-1-carbothioamide is sourced from PubChem (CID 8626878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).