ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

C16H18FN3O2S — CID 725112

IUPACethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C16H18FN3O2S/c1-2-22-16(21)20-9-7-19(8-10-20)15-18-14(11-23-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyFJOFDPGVFFLTLF-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.23
Rot. Bonds3

About ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate

ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 725112) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID725112
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Nameethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C16H18FN3O2S/c1-2-22-16(21)20-9-7-19(8-10-20)15-18-14(11-23-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3
InChIKeyFJOFDPGVFFLTLF-UHFFFAOYSA-N
XLogP3.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]morpholine
CID 683402
4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
1-(Methylsulfonyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine
CID 618556
1-(4-Phenyl-1,3-thiazol-2-yl)piperidine
CID 879105
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
1-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-4-methanesulfonyl-piperazine
CID 778231
Ethyl 4-(4-(4-chlorophenyl)thiazol-2-yl)piperazine-1-carboxylate
CID 1269494
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490756
N-(3-ethoxypropyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 3223618
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143946

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 725112) is ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is FJOFDPGVFFLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-2-22-16(21)20-9-7-19(8-10-20)15-18-14(11-23-15)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3.
What are the key properties of ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 725112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).