ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate

C12H12FN3O2S — CID 59580469

IUPACethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cnc(-c2cncc(F)c2)s1
InChIInChI=1S/C12H12FN3O2S/c1-3-18-12(17)16(2)10-7-15-11(19-10)8-4-9(13)6-14-5-8/h4-7H,3H2,1-2H3
InChIKeyUOYBYZPBKVCSFC-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.94
Rot. Bonds3

About ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate

ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate (PubChem CID 59580469) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate
PubChem CID59580469
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Nameethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1cnc(-c2cncc(F)c2)s1
InChIInChI=1S/C12H12FN3O2S/c1-3-18-12(17)16(2)10-7-15-11(19-10)8-4-9(13)6-14-5-8/h4-7H,3H2,1-2H3
InChIKeyUOYBYZPBKVCSFC-UHFFFAOYSA-N
XLogP2.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate (CID 59580469) is ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate is CCOC(=O)N(C)c1cnc(-c2cncc(F)c2)s1.
What is the InChIKey of ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
The InChIKey is UOYBYZPBKVCSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-3-18-12(17)16(2)10-7-15-11(19-10)8-4-9(13)6-14-5-8/h4-7H,3H2,1-2H3.
What are the key properties of ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate has a molecular weight of 281.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate is sourced from PubChem (CID 59580469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).