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

C14H19FN2O2S — CID 90134920

IUPACtert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=C(F)c2nccs2)CC1
InChIInChI=1S/C14H19FN2O2S/c1-14(2,3)19-13(18)17-7-4-10(5-8-17)11(15)12-16-6-9-20-12/h6,9H,4-5,7-8H2,1-3H3
InChIKeyTXPROVNAQRYRDV-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.85
Rot. Bonds1

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

tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate (PubChem CID 90134920) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate
PubChem CID90134920
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Nametert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=C(F)c2nccs2)CC1
InChIInChI=1S/C14H19FN2O2S/c1-14(2,3)19-13(18)17-7-4-10(5-8-17)11(15)12-16-6-9-20-12/h6,9H,4-5,7-8H2,1-3H3
InChIKeyTXPROVNAQRYRDV-UHFFFAOYSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
2-(1-Boc-1,2,3,6-tetrahydro-4-pyridyl)thiazole
CID 16094686
Tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
CID 18538756
4-(Thiazol-2-ylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 18538907
tert-Butyl 4-(thiazol-2-yloxy)piperidine-1-carboxylate
CID 21906099
tert-butyl 5-(1,3-thiazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate
CID 57440157
Tert-butyl 4-(thiazol-2-yl)piperidine-1-carboxylate
CID 58179889
tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70866362
tert-butyl 4-(thiazol-2-ylmethyl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 89610024
Tert-butyl 4-(1,3-thiazol-2-ylmethylidene)piperidine-1-carboxylate
CID 90134950
tert-butyl 5-hydroxy-4-methyl-3-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122668358
tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130067308

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate (CID 90134920) is tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=C(F)c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate?
The InChIKey is TXPROVNAQRYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-14(2,3)19-13(18)17-7-4-10(5-8-17)11(15)12-16-6-9-20-12/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate?
tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[fluoro(1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate is sourced from PubChem (CID 90134920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).