8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine

C14H18N2S — CID 117136976

IUPAC8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CC3CCCSC3)nc12
InChIInChI=1S/C14H18N2S/c1-11-4-2-6-16-9-13(15-14(11)16)8-12-5-3-7-17-10-12/h2,4,6,9,12H,3,5,7-8,10H2,1H3
InChIKeyXEHCJANFNLVOJU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.33
Rot. Bonds2

About 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine

8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117136976) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117136976
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CC3CCCSC3)nc12
InChIInChI=1S/C14H18N2S/c1-11-4-2-6-16-9-13(15-14(11)16)8-12-5-3-7-17-10-12/h2,4,6,9,12H,3,5,7-8,10H2,1H3
InChIKeyXEHCJANFNLVOJU-UHFFFAOYSA-N
XLogP3.33
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136072
8-bromo-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136980
8-methyl-2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117136718
2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136074
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212
8-methyl-2-(thian-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136981
8-methyl-2-(oxan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117136831
8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 4702012
8-methyl-2-(thiolan-2-yl)imidazo[1,2-a]pyridine
CID 117136459
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanecarboxamide
CID 3244515
8-methyl-2-(thian-4-yl)imidazo[1,2-a]pyridine
CID 117135947

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine (CID 117136976) is 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine is Cc1cccn2cc(CC3CCCSC3)nc12.
What is the InChIKey of 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is XEHCJANFNLVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-4-2-6-16-9-13(15-14(11)16)8-12-5-3-7-17-10-12/h2,4,6,9,12H,3,5,7-8,10H2,1H3.
What are the key properties of 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine?
8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 246.38 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(thian-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117136976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).