[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone

C21H19ClFN3OS — CID 52836323

IUPAC[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccccc2F)n1)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H19ClFN3OS/c22-16-6-2-4-8-18(16)24-14-9-11-26(12-10-14)21(27)19-13-28-20(25-19)15-5-1-3-7-17(15)23/h1-8,13-14,24H,9-12H2
InChIKeyHEHDNOQXZVREOG-UHFFFAOYSA-N
MW415.92 g/mol
LogP5.32
Rot. Bonds4

About [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone

[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 52836323) has the molecular formula C21H19ClFN3OS and a molecular weight of 415.92 g/mol. Its IUPAC name is [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID52836323
Molecular FormulaC21H19ClFN3OS
Molecular Weight415.92 g/mol
Exact Mass415.09
IUPAC Name[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccccc2F)n1)N1CCC(Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H19ClFN3OS/c22-16-6-2-4-8-18(16)24-14-9-11-26(12-10-14)21(27)19-13-28-20(25-19)15-5-1-3-7-17(15)23/h1-8,13-14,24H,9-12H2
InChIKeyHEHDNOQXZVREOG-UHFFFAOYSA-N
XLogP5.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone
CID 119662666
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
[4-(2-chloroanilino)piperidin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 84585423
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 52836323) is [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccccc2F)n1)N1CCC(Nc2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is HEHDNOQXZVREOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3OS/c22-16-6-2-4-8-18(16)24-14-9-11-26(12-10-14)21(27)19-13-28-20(25-19)15-5-1-3-7-17(15)23/h1-8,13-14,24H,9-12H2.
What are the key properties of [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 415.92 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 52836323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).