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

C11H16F2N2O2S — CID 130441254

IUPACtert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C(C)(F)F)cs1
InChIInChI=1S/C11H16F2N2O2S/c1-10(2,3)17-9(16)14-5-8-15-7(6-18-8)11(4,12)13/h6H,5H2,1-4H3,(H,14,16)
InChIKeyBCMHQYAGQORJSE-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.28
Rot. Bonds3

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

tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 130441254) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID130441254
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Nametert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C(C)(F)F)cs1
InChIInChI=1S/C11H16F2N2O2S/c1-10(2,3)17-9(16)14-5-8-15-7(6-18-8)11(4,12)13/h6H,5H2,1-4H3,(H,14,16)
InChIKeyBCMHQYAGQORJSE-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.28
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-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate (CID 130441254) is tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1nc(C(C)(F)F)cs1.
What is the InChIKey of tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is BCMHQYAGQORJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-10(2,3)17-9(16)14-5-8-15-7(6-18-8)11(4,12)13/h6H,5H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate?
tert-butyl N-[[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 278.32 g/mol, XLogP of 3.28, 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-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 130441254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).