3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide

C13H20N4S — CID 64749813

IUPAC3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide
SMILESCCC1CCCC(Nc2nccnc2C(N)=S)C1
InChIInChI=1S/C13H20N4S/c1-2-9-4-3-5-10(8-9)17-13-11(12(14)18)15-6-7-16-13/h6-7,9-10H,2-5,8H2,1H3,(H2,14,18)(H,16,17)
InChIKeyDKYRBCIHEXILET-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.49
Rot. Bonds4

About 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide

3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide (PubChem CID 64749813) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide
PubChem CID64749813
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide
SMILESCCC1CCCC(Nc2nccnc2C(N)=S)C1
InChIInChI=1S/C13H20N4S/c1-2-9-4-3-5-10(8-9)17-13-11(12(14)18)15-6-7-16-13/h6-7,9-10H,2-5,8H2,1H3,(H2,14,18)(H,16,17)
InChIKeyDKYRBCIHEXILET-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 115488665
3-[(1-methylpiperidin-4-yl)amino]pyrazine-2-carbothioamide
CID 55102703
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64742040
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
2-chloro-6-[(3-ethylcyclohexyl)amino]benzenecarbothioamide
CID 64750192
1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
CID 64742243
N-(3-ethylcyclohexyl)-1H-imidazol-2-amine
CID 106574900
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80915739
3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
CID 102758631
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
2-ethyl-N-(3-ethylcyclohexyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007268

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide (CID 64749813) is 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide is CCC1CCCC(Nc2nccnc2C(N)=S)C1.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide?
The InChIKey is DKYRBCIHEXILET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-9-4-3-5-10(8-9)17-13-11(12(14)18)15-6-7-16-13/h6-7,9-10H,2-5,8H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide?
3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide has a molecular weight of 264.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 64749813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).