2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

C14H22N4S — CID 61177677

IUPAC2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCCN1CCN(c2nc(C)cc(C)c2C(N)=S)CC1
InChIInChI=1S/C14H22N4S/c1-4-17-5-7-18(8-6-17)14-12(13(15)19)10(2)9-11(3)16-14/h9H,4-8H2,1-3H3,(H2,15,19)
InChIKeyHTIYKJMFVCWZLP-UHFFFAOYSA-N
MW278.43 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 61177677) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID61177677
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCCN1CCN(c2nc(C)cc(C)c2C(N)=S)CC1
InChIInChI=1S/C14H22N4S/c1-4-17-5-7-18(8-6-17)14-12(13(15)19)10(2)9-11(3)16-14/h9H,4-8H2,1-3H3,(H2,15,19)
InChIKeyHTIYKJMFVCWZLP-UHFFFAOYSA-N
XLogP1.47
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 51.47
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 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (CID 61177677) is 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is CCN1CCN(c2nc(C)cc(C)c2C(N)=S)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is HTIYKJMFVCWZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-17-5-7-18(8-6-17)14-12(13(15)19)10(2)9-11(3)16-14/h9H,4-8H2,1-3H3,(H2,15,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 278.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 61177677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).