N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide

C22H19ClFN3O2S — CID 86883401

IUPACN-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1)c1ccccc1F
InChIInChI=1S/C22H19ClFN3O2S/c23-17-7-3-1-5-15(17)21-26-19(13-30-21)22(29)27-11-9-14(10-12-27)25-20(28)16-6-2-4-8-18(16)24/h1-8,13-14H,9-12H2,(H,25,28)
InChIKeyZLJHBJARXJBBKO-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.64
Rot. Bonds4

About N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide

N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide (PubChem CID 86883401) has the molecular formula C22H19ClFN3O2S and a molecular weight of 443.93 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
PubChem CID86883401
Molecular FormulaC22H19ClFN3O2S
Molecular Weight443.93 g/mol
Exact Mass443.09
IUPAC NameN-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1)c1ccccc1F
InChIInChI=1S/C22H19ClFN3O2S/c23-17-7-3-1-5-15(17)21-26-19(13-30-21)22(29)27-11-9-14(10-12-27)25-20(28)16-6-2-4-8-18(16)24/h1-8,13-14H,9-12H2,(H,25,28)
InChIKeyZLJHBJARXJBBKO-UHFFFAOYSA-N
XLogP4.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloroanilino)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 52836323
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 55790830

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide (CID 86883401) is N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide is O=C(NC1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1)c1ccccc1F.
What is the InChIKey of N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is ZLJHBJARXJBBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2S/c23-17-7-3-1-5-15(17)21-26-19(13-30-21)22(29)27-11-9-14(10-12-27)25-20(28)16-6-2-4-8-18(16)24/h1-8,13-14H,9-12H2,(H,25,28).
What are the key properties of N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 443.93 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 86883401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).