N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C21H28FN5O2S — CID 55849804

IUPACN-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C21H28FN5O2S/c1-15(2)20(29)25-21-24-17(14-30-21)13-19(28)23-7-8-26-9-11-27(12-10-26)18-5-3-16(22)4-6-18/h3-6,14-15H,7-13H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyJZCKHQVFBCAFNY-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.36
Rot. Bonds8

About N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55849804) has the molecular formula C21H28FN5O2S and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55849804
Molecular FormulaC21H28FN5O2S
Molecular Weight433.55 g/mol
Exact Mass433.19
IUPAC NameN-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C21H28FN5O2S/c1-15(2)20(29)25-21-24-17(14-30-21)13-19(28)23-7-8-26-9-11-27(12-10-26)18-5-3-16(22)4-6-18/h3-6,14-15H,7-13H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeyJZCKHQVFBCAFNY-UHFFFAOYSA-N
XLogP2.36
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87002042
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 154859701
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012
N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47928469
4-methyl-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1029904
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34993291

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55849804) is N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is JZCKHQVFBCAFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O2S/c1-15(2)20(29)25-21-24-17(14-30-21)13-19(28)23-7-8-26-9-11-27(12-10-26)18-5-3-16(22)4-6-18/h3-6,14-15H,7-13H2,1-2H3,(H,23,28)(H,24,25,29).
What are the key properties of N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 433.55 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55849804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).