tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate

C15H17FN2O2S — CID 126719545

IUPACtert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)20-14(19)18-9-12-8-17-13(21-12)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyUFONALOSOIKXLF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.97
Rot. Bonds3

About tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate

tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate (PubChem CID 126719545) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate
PubChem CID126719545
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Nametert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)20-14(19)18-9-12-8-17-13(21-12)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyUFONALOSOIKXLF-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate (CID 126719545) is tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate?
The InChIKey is UFONALOSOIKXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-15(2,3)20-14(19)18-9-12-8-17-13(21-12)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate?
tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 126719545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).