2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C24H22FN5O2S — CID 164620689

IUPAC2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H22FN5O2S/c25-17-6-7-19-18(12-17)21(13-22(31)26-19)30-10-8-29(9-11-30)14-23(32)28-24-27-20(15-33-24)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,26,31)(H,27,28,32)
InChIKeyUTWBJHJCMRRTML-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.55
Rot. Bonds5

About 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 164620689) has the molecular formula C24H22FN5O2S and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID164620689
Molecular FormulaC24H22FN5O2S
Molecular Weight463.54 g/mol
Exact Mass463.15
IUPAC Name2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H22FN5O2S/c25-17-6-7-19-18(12-17)21(13-22(31)26-19)30-10-8-29(9-11-30)14-23(32)28-24-27-20(15-33-24)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,26,31)(H,27,28,32)
InChIKeyUTWBJHJCMRRTML-UHFFFAOYSA-N
XLogP3.55
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

TJ-M2010-5
CID 71542350
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
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CID 71456681
N-benzyl-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
CID 1830730
N'-(4-phenyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 1963296
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956609
3-((R)-2-Amino-2-phenyl-ethyl)-5-(2-benzylamino-thiazol-4-yl)-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 44394614
(S)-N-(4-phenylthiazol-2-yl)-2-(3-phenylureido)-6-(sulfamoylamino)hexanamide
CID 44572517
2-(4-(6-Fluoroindolin-1-yl)piperidine-1-carboxamido)thiazole-4-carboxamide
CID 71657442
N-(4-Phenylthiazol-2-yl)-2-(piperidin-1-yl)acetamide
CID 2336975
2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 658908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 164620689) is 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is UTWBJHJCMRRTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2S/c25-17-6-7-19-18(12-17)21(13-22(31)26-19)30-10-8-29(9-11-30)14-23(32)28-24-27-20(15-33-24)16-4-2-1-3-5-16/h1-7,12-13,15H,8-11,14H2,(H,26,31)(H,27,28,32).
What are the key properties of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 463.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164620689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).