tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate

C15H23F2N3O2S — CID 118297268

IUPACtert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1nccs1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O2S/c1-14(2,3)22-13(21)19-10-11(12-18-6-9-23-12)20-7-4-15(16,17)5-8-20/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,21)
InChIKeyCTMGFVTUKWXXMP-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.44
Rot. Bonds4

About tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate (PubChem CID 118297268) has the molecular formula C15H23F2N3O2S and a molecular weight of 347.43 g/mol. Its IUPAC name is tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
PubChem CID118297268
Molecular FormulaC15H23F2N3O2S
Molecular Weight347.43 g/mol
Exact Mass347.15
IUPAC Nametert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1nccs1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N3O2S/c1-14(2,3)22-13(21)19-10-11(12-18-6-9-23-12)20-7-4-15(16,17)5-8-20/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,21)
InChIKeyCTMGFVTUKWXXMP-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 56783013
(s)-(-)-N-(t-butoxycarbonyl)-1-(2-thiazolyl)-2-methylpropylamine
CID 10956191
tert-butyl N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]carbamate
CID 91301086
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
[(2S)-3-[3-bromo-4-(trifluoromethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-2-yl)propyl]-tert-butylcarbamic acid
CID 67144960
[(2S)-3-[3-bromo-4-(trifluoromethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-2-yl)propyl]carbamic acid
CID 67145469
tert-butyl (2R)-2-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazine-1-carboxylate
CID 141444255
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)ethyl]carbamate
CID 63597934
N-[1-(1,3-thiazol-2-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64488016
N-[1-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64489233
2,2,2-trifluoroethyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64687364

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate (CID 118297268) is tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(c1nccs1)N1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate?
The InChIKey is CTMGFVTUKWXXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2S/c1-14(2,3)22-13(21)19-10-11(12-18-6-9-23-12)20-7-4-15(16,17)5-8-20/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate has a molecular weight of 347.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 118297268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).