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

C24H21ClFN5O2S — CID 164617669

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C24H21ClFN5O2S/c25-16-3-1-15(2-4-16)20-14-34-24(28-20)29-23(33)13-30-7-9-31(10-8-30)21-12-22(32)27-19-6-5-17(26)11-18(19)21/h1-6,11-12,14H,7-10,13H2,(H,27,32)(H,28,29,33)
InChIKeyUHSZGZYRULBTQF-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.20
Rot. Bonds5

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide (PubChem CID 164617669) has the molecular formula C24H21ClFN5O2S and a molecular weight of 497.98 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide
PubChem CID164617669
Molecular FormulaC24H21ClFN5O2S
Molecular Weight497.98 g/mol
Exact Mass497.11
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C24H21ClFN5O2S/c25-16-3-1-15(2-4-16)20-14-34-24(28-20)29-23(33)13-30-7-9-31(10-8-30)21-12-22(32)27-19-6-5-17(26)11-18(19)21/h1-6,11-12,14H,7-10,13H2,(H,27,32)(H,28,29,33)
InChIKeyUHSZGZYRULBTQF-UHFFFAOYSA-N
XLogP4.20
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide (CID 164617669) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is UHSZGZYRULBTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S/c25-16-3-1-15(2-4-16)20-14-34-24(28-20)29-23(33)13-30-7-9-31(10-8-30)21-12-22(32)27-19-6-5-17(26)11-18(19)21/h1-6,11-12,14H,7-10,13H2,(H,27,32)(H,28,29,33).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 497.98 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 164617669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).