2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine

C10H12N4S — CID 62137152

IUPAC2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine
SMILESCCn1ccnc1Sc1ncccc1N
InChIInChI=1S/C10H12N4S/c1-2-14-7-6-13-10(14)15-9-8(11)4-3-5-12-9/h3-7H,2,11H2,1H3
InChIKeyYMPGGNKHSFQEJQ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.03
Rot. Bonds3

About 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine

2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine (PubChem CID 62137152) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine
PubChem CID62137152
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine
SMILESCCn1ccnc1Sc1ncccc1N
InChIInChI=1S/C10H12N4S/c1-2-14-7-6-13-10(14)15-9-8(11)4-3-5-12-9/h3-7H,2,11H2,1H3
InChIKeyYMPGGNKHSFQEJQ-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine (CID 62137152) is 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine is CCn1ccnc1Sc1ncccc1N.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine?
The InChIKey is YMPGGNKHSFQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-14-7-6-13-10(14)15-9-8(11)4-3-5-12-9/h3-7H,2,11H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine?
2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine has a molecular weight of 220.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 62137152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).