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

C9H13FN2O2S — CID 45117835

IUPACtert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1F
InChIInChI=1S/C9H13FN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13)
InChIKeyYEERSIKAJJJWSV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.94
Rot. Bonds1

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

tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 45117835) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID45117835
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Nametert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1F
InChIInChI=1S/C9H13FN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13)
InChIKeyYEERSIKAJJJWSV-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[7-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-4-yl]boronic acid
CID 170991937
tert-butyl N-[5-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 118545134
tert-butyl N-[4-methyl-5-[(2-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamate
CID 11290976
tert-butyl N-(4-bromo-5,7-difluoro-1,3-benzothiazol-2-yl)carbamate
CID 172868672
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
CID 130841255
tert-butyl N-[5-(hydroxymethyl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 86586329
2-hydroxy-2-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
CID 155681243
tert-butyl N-[5-[(2-chloro-4-fluorophenyl)methylcarbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 89009805
tert-butyl N-[5-[[3-methoxy-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 21137696
tert-butyl N-[5-[(2-chloro-5-methylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 130442324
tert-butyl N-(5-bromo-4-formyl-1,3-thiazol-2-yl)carbamate;methoxymethane
CID 143508847
tert-butyl N-(5-chloro-4-oxaldehydoyl-1,3-thiazol-2-yl)carbamate
CID 89084735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate (CID 45117835) is tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1F.
What is the InChIKey of tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is YEERSIKAJJJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h1-4H3,(H,11,12,13).
What are the key properties of tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 45117835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).