4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine

C10H12N4S — CID 66142138

IUPAC4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
SMILESCn1cncc1CSc1ccncc1N
InChIInChI=1S/C10H12N4S/c1-14-7-13-4-8(14)6-15-10-2-3-12-5-9(10)11/h2-5,7H,6,11H2,1H3
InChIKeyGAFLTEWCTZLPII-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.69
Rot. Bonds3

About 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine

4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 66142138) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
PubChem CID66142138
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine
SMILESCn1cncc1CSc1ccncc1N
InChIInChI=1S/C10H12N4S/c1-14-7-13-4-8(14)6-15-10-2-3-12-5-9(10)11/h2-5,7H,6,11H2,1H3
InChIKeyGAFLTEWCTZLPII-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine (CID 66142138) is 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine is Cn1cncc1CSc1ccncc1N.
What is the InChIKey of 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is GAFLTEWCTZLPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14-7-13-4-8(14)6-15-10-2-3-12-5-9(10)11/h2-5,7H,6,11H2,1H3.
What are the key properties of 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine?
4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 220.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylimidazol-4-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 66142138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).