methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate

C15H15ClFN3O2S — CID 51119286

IUPACmethyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(c3ccccc3F)CC2)nc1Cl
InChIInChI=1S/C15H15ClFN3O2S/c1-22-14(21)12-13(16)18-15(23-12)20-8-6-19(7-9-20)11-5-3-2-4-10(11)17/h2-5H,6-9H2,1H3
InChIKeyWFLKZVXJPIFYIY-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.05
Rot. Bonds3

About methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 51119286) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID51119286
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC Namemethyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(c3ccccc3F)CC2)nc1Cl
InChIInChI=1S/C15H15ClFN3O2S/c1-22-14(21)12-13(16)18-15(23-12)20-8-6-19(7-9-20)11-5-3-2-4-10(11)17/h2-5H,6-9H2,1H3
InChIKeyWFLKZVXJPIFYIY-UHFFFAOYSA-N
XLogP3.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazole-5-carboxylate
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2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 121081547
methyl 2-(4-benzyl-3-ethylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 133458534
methyl 4-chloro-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 63615066
methyl 4-chloro-2-(4,4-dimethylazepan-1-yl)-1,3-thiazole-5-carboxylate
CID 65281664
methyl 4-chloro-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
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2-[4-(2-fluorophenyl)piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 121081717
methyl 4-chloro-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
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methyl 4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 133476650
methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]-2-methoxypyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate (CID 51119286) is methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCN(c3ccccc3F)CC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is WFLKZVXJPIFYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c1-22-14(21)12-13(16)18-15(23-12)20-8-6-19(7-9-20)11-5-3-2-4-10(11)17/h2-5H,6-9H2,1H3.
What are the key properties of methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 355.82 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 51119286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).