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

C10H14F2N2O3S — CID 45117864

IUPACtert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)(F)CO)cs1
InChIInChI=1S/C10H14F2N2O3S/c1-9(2,3)17-8(16)14-7-13-6(4-18-7)10(11,12)5-15/h4,15H,5H2,1-3H3,(H,13,14,16)
InChIKeyZTIROCQMOGZCSS-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.57
Rot. Bonds3

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

tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 45117864) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID45117864
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Nametert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(F)(F)CO)cs1
InChIInChI=1S/C10H14F2N2O3S/c1-9(2,3)17-8(16)14-7-13-6(4-18-7)10(11,12)5-15/h4,15H,5H2,1-3H3,(H,13,14,16)
InChIKeyZTIROCQMOGZCSS-UHFFFAOYSA-N
XLogP2.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate (CID 45117864) is tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C(F)(F)CO)cs1.
What is the InChIKey of tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is ZTIROCQMOGZCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c1-9(2,3)17-8(16)14-7-13-6(4-18-7)10(11,12)5-15/h4,15H,5H2,1-3H3,(H,13,14,16).
What are the key properties of tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 280.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 45117864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).