4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

C21H19ClN4OS — CID 121309832

IUPAC4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3ccc(-c4nccs4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C21H19ClN4OS/c22-17-4-1-15(2-5-17)20-18(14-25-8-10-27-11-9-25)26-13-16(3-6-19(26)24-20)21-23-7-12-28-21/h1-7,12-13H,8-11,14H2
InChIKeyDNISYJMLFLLIPZ-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.61
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 121309832) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID121309832
Molecular FormulaC21H19ClN4OS
Molecular Weight410.93 g/mol
Exact Mass410.10
IUPAC Name4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3ccc(-c4nccs4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C21H19ClN4OS/c22-17-4-1-15(2-5-17)20-18(14-25-8-10-27-11-9-25)26-13-16(3-6-19(26)24-20)21-23-7-12-28-21/h1-7,12-13H,8-11,14H2
InChIKeyDNISYJMLFLLIPZ-UHFFFAOYSA-N
XLogP4.61
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 121309832) is 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is Clc1ccc(-c2nc3ccc(-c4nccs4)cn3c2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is DNISYJMLFLLIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4OS/c22-17-4-1-15(2-5-17)20-18(14-25-8-10-27-11-9-25)26-13-16(3-6-19(26)24-20)21-23-7-12-28-21/h1-7,12-13H,8-11,14H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 410.93 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).