2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide

C14H19N3S — CID 61443000

IUPAC2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide
SMILESNC(=S)c1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19N3S/c15-14(18)12-3-1-2-4-13(12)17-9-7-16(8-10-17)11-5-6-11/h1-4,11H,5-10H2,(H2,15,18)
InChIKeyIZMHDYUKCMUENU-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.61
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide

2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide (PubChem CID 61443000) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide
PubChem CID61443000
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide
SMILESNC(=S)c1ccccc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19N3S/c15-14(18)12-3-1-2-4-13(12)17-9-7-16(8-10-17)11-5-6-11/h1-4,11H,5-10H2,(H2,15,18)
InChIKeyIZMHDYUKCMUENU-UHFFFAOYSA-N
XLogP1.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Mepp
CID 91965
1-(2-Ethylphenyl)piperazine
CID 2736460
1-(o-Tolyl)piperazine Hydrochloride
CID 12227895
N,N-dimethyl-4-[(4-methyl-1-piperidinyl)carbonothioyl]aniline
CID 2210475
N-cyclopropyl-3,4-dihydroquinoline-1(2H)-carbothioamide
CID 19686774
N,N-Dimethyl-4-(piperazin-1-ylcarbonothioyl)aniline
CID 797524
Piperazine, 1-(2-propylphenyl)-
CID 10774576
1-(2-Butyl-phenyl)-piperazine
CID 14479835
4-(butylamino)-N-[2-(dimethylamino)ethyl]benzenecarbothioamide
CID 53361064
4-(4-Ethylpiperazin-1-yl)-2-methylaniline
CID 2125324
2-Methyl-1-(p-tolyl)piperazine
CID 98290
4-(4-Ethylpiperazin-1-yl)-3-methylaniline
CID 2118783

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide (CID 61443000) is 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide is NC(=S)c1ccccc1N1CCN(C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide?
The InChIKey is IZMHDYUKCMUENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-14(18)12-3-1-2-4-13(12)17-9-7-16(8-10-17)11-5-6-11/h1-4,11H,5-10H2,(H2,15,18).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide?
2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide has a molecular weight of 261.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)benzenecarbothioamide is sourced from PubChem (CID 61443000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).