1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one

C22H22ClN3OS — CID 149029882

IUPAC1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccccc1N1CCCCC1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C22H22ClN3OS/c23-21-20(28-22(25-21)17-8-6-12-24-15-17)19(27)11-10-16-7-2-3-9-18(16)26-13-4-1-5-14-26/h2-3,6-9,12,15H,1,4-5,10-11,13-14H2
InChIKeyQFFVDQMJHMSGFQ-UHFFFAOYSA-N
MW411.96 g/mol
LogP5.66
Rot. Bonds6

About 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one

1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one (PubChem CID 149029882) has the molecular formula C22H22ClN3OS and a molecular weight of 411.96 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one
PubChem CID149029882
Molecular FormulaC22H22ClN3OS
Molecular Weight411.96 g/mol
Exact Mass411.12
IUPAC Name1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccccc1N1CCCCC1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C22H22ClN3OS/c23-21-20(28-22(25-21)17-8-6-12-24-15-17)19(27)11-10-16-7-2-3-9-18(16)26-13-4-1-5-14-26/h2-3,6-9,12,15H,1,4-5,10-11,13-14H2
InChIKeyQFFVDQMJHMSGFQ-UHFFFAOYSA-N
XLogP5.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.96
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one with MolForge

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Related Compounds

4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111886
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
(4-chlorophenyl)-[(2S)-1-(4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 90086256
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 39080777
1-(4-methoxy-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-1-one
CID 118609209
2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203321
piperidin-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203258
azepan-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203315

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one?
The IUPAC name of 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one (CID 149029882) is 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one?
The canonical SMILES for 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one is O=C(CCc1ccccc1N1CCCCC1)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one?
The InChIKey is QFFVDQMJHMSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3OS/c23-21-20(28-22(25-21)17-8-6-12-24-15-17)19(27)11-10-16-7-2-3-9-18(16)26-13-4-1-5-14-26/h2-3,6-9,12,15H,1,4-5,10-11,13-14H2.
What are the key properties of 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one?
1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one has a molecular weight of 411.96 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(2-piperidin-1-ylphenyl)propan-1-one is sourced from PubChem (CID 149029882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).