tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate

C16H18FN3O2S — CID 59580484

IUPACtert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate
SMILESC=Cc1nc(-c2cncc(F)c2)sc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H18FN3O2S/c1-6-12-14(20(5)15(21)22-16(2,3)4)23-13(19-12)10-7-11(17)9-18-8-10/h6-9H,1H2,2-5H3
InChIKeyFNAILZPLDQTQGW-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.36
Rot. Bonds3

About tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate

tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate (PubChem CID 59580484) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate
PubChem CID59580484
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Nametert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate
SMILESC=Cc1nc(-c2cncc(F)c2)sc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H18FN3O2S/c1-6-12-14(20(5)15(21)22-16(2,3)4)23-13(19-12)10-7-11(17)9-18-8-10/h6-9H,1H2,2-5H3
InChIKeyFNAILZPLDQTQGW-UHFFFAOYSA-N
XLogP4.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate (CID 59580484) is tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate is C=Cc1nc(-c2cncc(F)c2)sc1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
The InChIKey is FNAILZPLDQTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-6-12-14(20(5)15(21)22-16(2,3)4)23-13(19-12)10-7-11(17)9-18-8-10/h6-9H,1H2,2-5H3.
What are the key properties of tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate?
tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate has a molecular weight of 335.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-ethenyl-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methylcarbamate is sourced from PubChem (CID 59580484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).