5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine

C11H14N4S — CID 114720404

IUPAC5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCSCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C11H14N4S/c1-16-5-4-15-8-13-7-10(15)9-2-3-11(12)14-6-9/h2-3,6-8H,4-5H2,1H3,(H2,12,14)
InChIKeyQBRLBTAVLHLVOR-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.89
Rot. Bonds4

About 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine

5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114720404) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114720404
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
SMILESCSCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C11H14N4S/c1-16-5-4-15-8-13-7-10(15)9-2-3-11(12)14-6-9/h2-3,6-8H,4-5H2,1H3,(H2,12,14)
InChIKeyQBRLBTAVLHLVOR-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 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine (CID 114720404) is 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine is CSCCn1cncc1-c1ccc(N)nc1.
What is the InChIKey of 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is QBRLBTAVLHLVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-16-5-4-15-8-13-7-10(15)9-2-3-11(12)14-6-9/h2-3,6-8H,4-5H2,1H3,(H2,12,14).
What are the key properties of 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine?
5-[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 5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).