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

C18H22FN3O2S — CID 68778488

IUPACtert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H22FN3O2S/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-20-15(12-25-16)13-4-6-14(19)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyLVFVAQUSOCLFMB-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.01
Rot. Bonds2

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

tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (PubChem CID 68778488) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
PubChem CID68778488
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Nametert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C18H22FN3O2S/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-20-15(12-25-16)13-4-6-14(19)7-5-13/h4-7,12H,8-11H2,1-3H3
InChIKeyLVFVAQUSOCLFMB-UHFFFAOYSA-N
XLogP4.01
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.01
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
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
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
4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazine-1-carbothioic acid (3-ethoxy-propyl)-amide
CID 3223618
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143946
1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144338
1-[4-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate (CID 68778488) is tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
The InChIKey is LVFVAQUSOCLFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-20-15(12-25-16)13-4-6-14(19)7-5-13/h4-7,12H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 68778488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).