N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

C22H20ClFN4O2S — CID 41160022

IUPACN-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN4O2S/c23-16-2-1-3-19(12-16)27-8-10-28(11-9-27)20(29)13-18-14-31-22(25-18)26-21(30)15-4-6-17(24)7-5-15/h1-7,12,14H,8-11,13H2,(H,25,26,30)
InChIKeyAPZOOHXMTOXTLV-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.08
Rot. Bonds5

About N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 41160022) has the molecular formula C22H20ClFN4O2S and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID41160022
Molecular FormulaC22H20ClFN4O2S
Molecular Weight458.95 g/mol
Exact Mass458.10
IUPAC NameN-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN4O2S/c23-16-2-1-3-19(12-16)27-8-10-28(11-9-27)20(29)13-18-14-31-22(25-18)26-21(30)15-4-6-17(24)7-5-15/h1-7,12,14H,8-11,13H2,(H,25,26,30)
InChIKeyAPZOOHXMTOXTLV-UHFFFAOYSA-N
XLogP4.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159437
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 16881599
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160059
4-chloro-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567922
N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41160057
N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38601875
4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160062
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 27546008
4-chloro-N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27443348
1-(4-fluorophenyl)-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 41159439
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 41160022) is N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is APZOOHXMTOXTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2S/c23-16-2-1-3-19(12-16)27-8-10-28(11-9-27)20(29)13-18-14-31-22(25-18)26-21(30)15-4-6-17(24)7-5-15/h1-7,12,14H,8-11,13H2,(H,25,26,30).
What are the key properties of N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 458.95 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 41160022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).