3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol

C12H16N2OS — CID 511756

IUPAC3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol
SMILESCc1ccn2c(CSCCCO)cnc2c1
InChIInChI=1S/C12H16N2OS/c1-10-3-4-14-11(8-13-12(14)7-10)9-16-6-2-5-15/h3-4,7-8,15H,2,5-6,9H2,1H3
InChIKeyWVCSZMWHMOSTNS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.26
Rot. Bonds5

About 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol

3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol (PubChem CID 511756) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol
PubChem CID511756
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol
SMILESCc1ccn2c(CSCCCO)cnc2c1
InChIInChI=1S/C12H16N2OS/c1-10-3-4-14-11(8-13-12(14)7-10)9-16-6-2-5-15/h3-4,7-8,15H,2,5-6,9H2,1H3
InChIKeyWVCSZMWHMOSTNS-UHFFFAOYSA-N
XLogP2.26
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol (CID 511756) is 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol is Cc1ccn2c(CSCCCO)cnc2c1.
What is the InChIKey of 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol?
The InChIKey is WVCSZMWHMOSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-10-3-4-14-11(8-13-12(14)7-10)9-16-6-2-5-15/h3-4,7-8,15H,2,5-6,9H2,1H3.
What are the key properties of 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol?
3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol has a molecular weight of 236.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 511756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).