1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C13H19ClN2S — CID 117249714

IUPAC1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCn2c(C3CCSCC3)nc(Cl)c21
InChIInChI=1S/C13H19ClN2S/c1-9-3-2-6-16-11(9)12(14)15-13(16)10-4-7-17-8-5-10/h9-10H,2-8H2,1H3
InChIKeyGMLQESXKESFQMR-UHFFFAOYSA-N
MW270.83 g/mol
LogP4.04
Rot. Bonds1

About 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117249714) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117249714
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCn2c(C3CCSCC3)nc(Cl)c21
InChIInChI=1S/C13H19ClN2S/c1-9-3-2-6-16-11(9)12(14)15-13(16)10-4-7-17-8-5-10/h9-10H,2-8H2,1H3
InChIKeyGMLQESXKESFQMR-UHFFFAOYSA-N
XLogP4.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249648
1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249572
8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117152463
1-chloro-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117250179
(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)methanamine
CID 83869664
2-(1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)ethanamine
CID 83869662
methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250140
1-chloro-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249610
8-methyl-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249726
1-chloro-8-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117250063
1-chloro-8-methyl-3-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117249792
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117249714) is 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCn2c(C3CCSCC3)nc(Cl)c21.
What is the InChIKey of 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is GMLQESXKESFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-9-3-2-6-16-11(9)12(14)15-13(16)10-4-7-17-8-5-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 270.83 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-methyl-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117249714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).