2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine

C12H17N3S — CID 66220095

IUPAC2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
SMILESCc1cccn2cc(CSC(C)CN)nc12
InChIInChI=1S/C12H17N3S/c1-9-4-3-5-15-7-11(14-12(9)15)8-16-10(2)6-13/h3-5,7,10H,6,8,13H2,1-2H3
InChIKeyDLCDYZKAZQETBG-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.22
Rot. Bonds4

About 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine

2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine (PubChem CID 66220095) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
PubChem CID66220095
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
SMILESCc1cccn2cc(CSC(C)CN)nc12
InChIInChI=1S/C12H17N3S/c1-9-4-3-5-15-7-11(14-12(9)15)8-16-10(2)6-13/h3-5,7,10H,6,8,13H2,1-2H3
InChIKeyDLCDYZKAZQETBG-UHFFFAOYSA-N
XLogP2.22
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine (CID 66220095) is 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine is Cc1cccn2cc(CSC(C)CN)nc12.
What is the InChIKey of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine?
The InChIKey is DLCDYZKAZQETBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-4-3-5-15-7-11(14-12(9)15)8-16-10(2)6-13/h3-5,7,10H,6,8,13H2,1-2H3.
What are the key properties of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine?
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66220095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).