N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide

C15H19N3O2S — CID 2409068

IUPACN-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2O)CC1)C1CC1
InChIInChI=1S/C15H19N3O2S/c19-13-4-2-1-3-12(13)17-7-9-18(10-8-17)15(21)16-14(20)11-5-6-11/h1-4,11,19H,5-10H2,(H,16,20,21)
InChIKeyJCNLPXGLYPBDSX-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.33
Rot. Bonds2

About N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide

N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide (PubChem CID 2409068) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide
PubChem CID2409068
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide
SMILESO=C(NC(=S)N1CCN(c2ccccc2O)CC1)C1CC1
InChIInChI=1S/C15H19N3O2S/c19-13-4-2-1-3-12(13)17-7-9-18(10-8-17)15(21)16-14(20)11-5-6-11/h1-4,11,19H,5-10H2,(H,16,20,21)
InChIKeyJCNLPXGLYPBDSX-UHFFFAOYSA-N
XLogP1.33
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide (CID 2409068) is N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide is O=C(NC(=S)N1CCN(c2ccccc2O)CC1)C1CC1.
What is the InChIKey of N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide?
The InChIKey is JCNLPXGLYPBDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-13-4-2-1-3-12(13)17-7-9-18(10-8-17)15(21)16-14(20)11-5-6-11/h1-4,11,19H,5-10H2,(H,16,20,21).
What are the key properties of N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide?
N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2409068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).