2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

C21H25FN4O2S — CID 56550936

IUPAC2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCC(N3CCCC3)CC2)cs1)c1ccccc1F
InChIInChI=1S/C21H25FN4O2S/c22-18-6-2-1-5-17(18)20(28)24-21-23-15(14-29-21)13-19(27)26-11-7-16(8-12-26)25-9-3-4-10-25/h1-2,5-6,14,16H,3-4,7-13H2,(H,23,24,28)
InChIKeyNZYOWBVBSJSIHT-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.16
Rot. Bonds5

About 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56550936) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID56550936
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N2CCC(N3CCCC3)CC2)cs1)c1ccccc1F
InChIInChI=1S/C21H25FN4O2S/c22-18-6-2-1-5-17(18)20(28)24-21-23-15(14-29-21)13-19(27)26-11-7-16(8-12-26)25-9-3-4-10-25/h1-2,5-6,14,16H,3-4,7-13H2,(H,23,24,28)
InChIKeyNZYOWBVBSJSIHT-UHFFFAOYSA-N
XLogP3.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 119493531
N-[4-[2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55706955
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227
N-[4-[2-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 56576567
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704203
tert-butyl N-[4-[2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate;ethane
CID 142514731
2-fluoro-N-[4-[2-[2-(3-methylmorpholin-4-yl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 86941067
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
N-[4-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704551
N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881593

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide (CID 56550936) is 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N2CCC(N3CCCC3)CC2)cs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is NZYOWBVBSJSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c22-18-6-2-1-5-17(18)20(28)24-21-23-15(14-29-21)13-19(27)26-11-7-16(8-12-26)25-9-3-4-10-25/h1-2,5-6,14,16H,3-4,7-13H2,(H,23,24,28).
What are the key properties of 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56550936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).