3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole

C17H22N4S — CID 175286050

IUPAC3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole
SMILESCC1=CN(Cc2ccn3ccnc3c2)C(C2CCNCC2)S1
InChIInChI=1S/C17H22N4S/c1-13-11-21(17(22-13)15-2-5-18-6-3-15)12-14-4-8-20-9-7-19-16(20)10-14/h4,7-11,15,17-18H,2-3,5-6,12H2,1H3
InChIKeyAEJDQZPGLKIZAK-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.07
Rot. Bonds3

About 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole

3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole (PubChem CID 175286050) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole
PubChem CID175286050
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole
SMILESCC1=CN(Cc2ccn3ccnc3c2)C(C2CCNCC2)S1
InChIInChI=1S/C17H22N4S/c1-13-11-21(17(22-13)15-2-5-18-6-3-15)12-14-4-8-20-9-7-19-16(20)10-14/h4,7-11,15,17-18H,2-3,5-6,12H2,1H3
InChIKeyAEJDQZPGLKIZAK-UHFFFAOYSA-N
XLogP3.07
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole (CID 175286050) is 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole is CC1=CN(Cc2ccn3ccnc3c2)C(C2CCNCC2)S1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole?
The InChIKey is AEJDQZPGLKIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-13-11-21(17(22-13)15-2-5-18-6-3-15)12-14-4-8-20-9-7-19-16(20)10-14/h4,7-11,15,17-18H,2-3,5-6,12H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole?
3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole has a molecular weight of 314.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-7-ylmethyl)-5-methyl-2-piperidin-4-yl-2H-1,3-thiazole is sourced from PubChem (CID 175286050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).