6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine

C12H13ClN2S — CID 117129093

IUPAC6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CC3CCSC3)cn2c1
InChIInChI=1S/C12H13ClN2S/c13-10-1-2-12-14-11(7-15(12)6-10)5-9-3-4-16-8-9/h1-2,6-7,9H,3-5,8H2
InChIKeyPNNYTOHAPPAPAP-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.28
Rot. Bonds2

About 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine

6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117129093) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117129093
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CC3CCSC3)cn2c1
InChIInChI=1S/C12H13ClN2S/c13-10-1-2-12-14-11(7-15(12)6-10)5-9-3-4-16-8-9/h1-2,6-7,9H,3-5,8H2
InChIKeyPNNYTOHAPPAPAP-UHFFFAOYSA-N
XLogP3.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129046
2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
CID 117129235
6-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129074
2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136074
8-methyl-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136072
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 78912632
7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117156496
6-chloro-2-cyclopropylimidazo[1,2-a]pyridine
CID 915895
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
6-chloro-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117130490
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 78912858

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine (CID 117129093) is 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine is Clc1ccc2nc(CC3CCSC3)cn2c1.
What is the InChIKey of 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is PNNYTOHAPPAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-10-1-2-12-14-11(7-15(12)6-10)5-9-3-4-16-8-9/h1-2,6-7,9H,3-5,8H2.
What are the key properties of 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine?
6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 252.77 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117129093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).