[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C23H22N4OS2 — CID 56541935

IUPAC[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C23H22N4OS2/c28-23(27-12-3-4-18(14-27)22-24-10-13-29-22)17-6-8-20(9-7-17)30-16-19-15-26-11-2-1-5-21(26)25-19/h1-2,5-11,13,15,18H,3-4,12,14,16H2
InChIKeyFJESDAPINFYNEN-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.10
Rot. Bonds5

About [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56541935) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56541935
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC Name[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C23H22N4OS2/c28-23(27-12-3-4-18(14-27)22-24-10-13-29-22)17-6-8-20(9-7-17)30-16-19-15-26-11-2-1-5-21(26)25-19/h1-2,5-11,13,15,18H,3-4,12,14,16H2
InChIKeyFJESDAPINFYNEN-UHFFFAOYSA-N
XLogP5.10
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56533058
2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39461568
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 25406074
[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 47092690
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone;dihydrochloride
CID 120805376
(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide
CID 71892722
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
[2-(cyclohexylamino)-2-oxoethyl] 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoate
CID 86934624
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55523045
[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119412664

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56541935) is [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCCC(c2nccs2)C1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is FJESDAPINFYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c28-23(27-12-3-4-18(14-27)22-24-10-13-29-22)17-6-8-20(9-7-17)30-16-19-15-26-11-2-1-5-21(26)25-19/h1-2,5-11,13,15,18H,3-4,12,14,16H2.
What are the key properties of [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 434.59 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56541935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).