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

C10H14F2N2O2S — CID 130441269

IUPACtert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(C)(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-7-13-6(5-17-7)10(4,11)12/h5H,1-4H3,(H,13,14,15)
InChIKeyVUNNZUVYLZIMIW-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.60
Rot. Bonds2

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

tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 130441269) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID130441269
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Nametert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(C)(F)F)cs1
InChIInChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-7-13-6(5-17-7)10(4,11)12/h5H,1-4H3,(H,13,14,15)
InChIKeyVUNNZUVYLZIMIW-UHFFFAOYSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
methyl N-[4-(2-iodoethyl)-1,3-thiazol-2-yl]carbamate
CID 14962251
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 50989389
tert-butyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 79123145
tert-butyl N-[1-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 56826726
4-Isopropyl-2-trifluoroacetylaminothiazole
CID 23115829
Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835
tert-Butyl (4-(difluoromethyl)thiazol-2-yl)carbamate
CID 45117843
tert-butyl N-[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]carbamate
CID 45117864
Ethyl 2,2-difluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetate
CID 57633954
t-Butyl [4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 59570990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate (CID 130441269) is tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C(C)(F)F)cs1.
What is the InChIKey of tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is VUNNZUVYLZIMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-9(2,3)16-8(15)14-7-13-6(5-17-7)10(4,11)12/h5H,1-4H3,(H,13,14,15).
What are the key properties of tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 264.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 130441269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).