2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

C26H26ClN3O2S — CID 3492288

IUPAC2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(c2nc(C(=O)N3CCCc4ccccc43)cs2)CC1
InChIInChI=1S/C26H26ClN3O2S/c27-21-9-3-1-7-20(21)16-24(31)29-14-11-19(12-15-29)25-28-22(17-33-25)26(32)30-13-5-8-18-6-2-4-10-23(18)30/h1-4,6-7,9-10,17,19H,5,8,11-16H2
InChIKeyZLJDFWOXKCVPNS-UHFFFAOYSA-N
MW480.03 g/mol
LogP5.34
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 3492288) has the molecular formula C26H26ClN3O2S and a molecular weight of 480.03 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID3492288
Molecular FormulaC26H26ClN3O2S
Molecular Weight480.03 g/mol
Exact Mass479.14
IUPAC Name2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(c2nc(C(=O)N3CCCc4ccccc43)cs2)CC1
InChIInChI=1S/C26H26ClN3O2S/c27-21-9-3-1-7-20(21)16-24(31)29-14-11-19(12-15-29)25-28-22(17-33-25)26(32)30-13-5-8-18-6-2-4-10-23(18)30/h1-4,6-7,9-10,17,19H,5,8,11-16H2
InChIKeyZLJDFWOXKCVPNS-UHFFFAOYSA-N
XLogP5.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.03
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 4992401
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 3682252
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N'-(5-methylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3254871
2-(2-chlorophenyl)-1-[4-[4-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3872027
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 4657597
2-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
CID 126833573
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-[2-(2-ethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 4982776
N-[[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3468106
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(6-methyl-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)-1,3-thiazole-4-carboxamide
CID 3449936
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3682249
cyclohexyl-[4-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 23732060
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31013731

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 3492288) is 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCC(c2nc(C(=O)N3CCCc4ccccc43)cs2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZLJDFWOXKCVPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2S/c27-21-9-3-1-7-20(21)16-24(31)29-14-11-19(12-15-29)25-28-22(17-33-25)26(32)30-13-5-8-18-6-2-4-10-23(18)30/h1-4,6-7,9-10,17,19H,5,8,11-16H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 480.03 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 3492288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).