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

C10H14F2N2O2S — CID 22916716

IUPACtert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S/c1-10(2,3)16-9(15)13-4-7-14-6(5-17-7)8(11)12/h5,8H,4H2,1-3H3,(H,13,15)
InChIKeyNMYGLNKVAOFDMD-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.11
Rot. Bonds3

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

tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 22916716) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID22916716
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Nametert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S/c1-10(2,3)16-9(15)13-4-7-14-6(5-17-7)8(11)12/h5,8H,4H2,1-3H3,(H,13,15)
InChIKeyNMYGLNKVAOFDMD-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate (CID 22916716) is tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1nc(C(F)F)cs1.
What is the InChIKey of tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is NMYGLNKVAOFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-10(2,3)16-9(15)13-4-7-14-6(5-17-7)8(11)12/h5,8H,4H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate?
tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 264.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(difluoromethyl)-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 22916716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).