6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide

C14H20N4S — CID 61443099

IUPAC6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C14H20N4S/c15-14(19)12-3-4-13(16-9-12)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H2,15,19)
InChIKeyKSORTZPINMKZNP-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.25
Rot. Bonds4

About 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide

6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide (PubChem CID 61443099) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
PubChem CID61443099
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(N2CCN(CC3CC3)CC2)nc1
InChIInChI=1S/C14H20N4S/c15-14(19)12-3-4-13(16-9-12)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H2,15,19)
InChIKeyKSORTZPINMKZNP-UHFFFAOYSA-N
XLogP1.25
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
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 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide?
The IUPAC name of 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide (CID 61443099) is 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide?
The canonical SMILES for 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide is NC(=S)c1ccc(N2CCN(CC3CC3)CC2)nc1.
What is the InChIKey of 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide?
The InChIKey is KSORTZPINMKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c15-14(19)12-3-4-13(16-9-12)18-7-5-17(6-8-18)10-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H2,15,19).
What are the key properties of 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide?
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide has a molecular weight of 276.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide is sourced from PubChem (CID 61443099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).