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

C14H20F2N2O2S — CID 129482060

IUPACtert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(C(F)F)cs2)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-14(2,3)20-13(19)18-6-4-9(5-7-18)12-17-10(8-21-12)11(15)16/h8-9,11H,4-7H2,1-3H3
InChIKeyOARUIGXISOCMSV-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.20
Rot. Bonds2

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

tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 129482060) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID129482060
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Nametert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(C(F)F)cs2)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-14(2,3)20-13(19)18-6-4-9(5-7-18)12-17-10(8-21-12)11(15)16/h8-9,11H,4-7H2,1-3H3
InChIKeyOARUIGXISOCMSV-UHFFFAOYSA-N
XLogP4.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 129482060) is tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(C(F)F)cs2)CC1.
What is the InChIKey of tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is OARUIGXISOCMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-14(2,3)20-13(19)18-6-4-9(5-7-18)12-17-10(8-21-12)11(15)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 318.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 129482060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).