tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

C14H20FN3O3S — CID 123984710

IUPACtert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2nc(CN=O)cs2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-13(2,3)21-12(19)18-6-4-14(15,5-7-18)11-17-10(8-16-20)9-22-11/h9H,4-8H2,1-3H3
InChIKeyIBAYHFSWRNWOGN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.61
Rot. Bonds3

About tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 123984710) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID123984710
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Nametert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2nc(CN=O)cs2)CC1
InChIInChI=1S/C14H20FN3O3S/c1-13(2,3)21-12(19)18-6-4-14(15,5-7-18)11-17-10(8-16-20)9-22-11/h9H,4-8H2,1-3H3
InChIKeyIBAYHFSWRNWOGN-UHFFFAOYSA-N
XLogP3.61
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 4-[methyl(1,3-thiazol-4-ylmethyl)amino]piperidine-1-carboxylate
CID 71862833
tert-butyl (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75434857
tert-butyl (2R)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 69789883
Tert-butyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 77717496
tert-butyl 4-fluoro-4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 87322258
tert-butyl 4-fluoro-4-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 87390680
4-Fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 123246683
Tert-butyl 4-fluoro-4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 124018664
Tert-butyl 2-fluoro-4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 141304273
Tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 162412080
Tert-butyl 4-[4-(difluoromethyl)thiazol-2-yl]piperidine-1-carboxylate
CID 129482060
tert-butyl N-{[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl}-N-methylcarbamate
CID 165931524

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 123984710) is tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2nc(CN=O)cs2)CC1.
What is the InChIKey of tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is IBAYHFSWRNWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-13(2,3)21-12(19)18-6-4-14(15,5-7-18)11-17-10(8-16-20)9-22-11/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 123984710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).