benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

C11H9FN2O2S — CID 53376984

IUPACbenzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1ncc(F)s1)OCc1ccccc1
InChIInChI=1S/C11H9FN2O2S/c12-9-6-13-10(17-9)14-11(15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyYMQKXRRONGDYMQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds3

About benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate (PubChem CID 53376984) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
PubChem CID53376984
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namebenzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1ncc(F)s1)OCc1ccccc1
InChIInChI=1S/C11H9FN2O2S/c12-9-6-13-10(17-9)14-11(15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyYMQKXRRONGDYMQ-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
The IUPAC name of benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate (CID 53376984) is benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate is O=C(Nc1ncc(F)s1)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
The InChIKey is YMQKXRRONGDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-9-6-13-10(17-9)14-11(15)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15).
What are the key properties of benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate has a molecular weight of 252.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 53376984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).