3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine

C11H14N4S — CID 114720401

IUPAC3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCSCCn1cncc1-c1cccnc1N
InChIInChI=1S/C11H14N4S/c1-16-6-5-15-8-13-7-10(15)9-3-2-4-14-11(9)12/h2-4,7-8H,5-6H2,1H3,(H2,12,14)
InChIKeyGSIHNWSOANKHRC-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.89
Rot. Bonds4

About 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine

3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114720401) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114720401
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCSCCn1cncc1-c1cccnc1N
InChIInChI=1S/C11H14N4S/c1-16-6-5-15-8-13-7-10(15)9-3-2-4-14-11(9)12/h2-4,7-8H,5-6H2,1H3,(H2,12,14)
InChIKeyGSIHNWSOANKHRC-UHFFFAOYSA-N
XLogP1.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine (CID 114720401) is 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine is CSCCn1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is GSIHNWSOANKHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-16-6-5-15-8-13-7-10(15)9-3-2-4-14-11(9)12/h2-4,7-8H,5-6H2,1H3,(H2,12,14).
What are the key properties of 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 234.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).