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

C9H13FN2O2S — CID 59570990

IUPACtert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CF)cs1
InChIInChI=1S/C9H13FN2O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyDNUHMLYQWLSEOK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.96
Rot. Bonds2

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

tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 59570990) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID59570990
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Nametert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CF)cs1
InChIInChI=1S/C9H13FN2O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4H2,1-3H3,(H,11,12,13)
InChIKeyDNUHMLYQWLSEOK-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.96
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-(fluoromethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate (CID 59570990) is tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(CF)cs1.
What is the InChIKey of tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is DNUHMLYQWLSEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4H2,1-3H3,(H,11,12,13).
What are the key properties of tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(fluoromethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 2.96, 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-(fluoromethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 59570990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).