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

C15H16FN3O3S — CID 141395789

IUPACtert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(N)=O
InChIInChI=1S/C15H16FN3O3S/c1-15(2,3)22-14(21)19-13-10(11(17)20)18-12(23-13)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H2,17,20)(H,19,21)
InChIKeyOLFVZQVRZWIBHU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.40
Rot. Bonds3

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

tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 141395789) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID141395789
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Nametert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(N)=O
InChIInChI=1S/C15H16FN3O3S/c1-15(2,3)22-14(21)19-13-10(11(17)20)18-12(23-13)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H2,17,20)(H,19,21)
InChIKeyOLFVZQVRZWIBHU-UHFFFAOYSA-N
XLogP3.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate (CID 141395789) is tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1sc(-c2ccccc2F)nc1C(N)=O.
What is the InChIKey of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is OLFVZQVRZWIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-15(2,3)22-14(21)19-13-10(11(17)20)18-12(23-13)8-6-4-5-7-9(8)16/h4-7H,1-3H3,(H2,17,20)(H,19,21).
What are the key properties of tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 141395789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).