2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C17H17FN4O2S — CID 59568532

IUPAC2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(CCc2c(-c3ccc(F)cn3)noc2C)nc1C
InChIInChI=1S/C17H17FN4O2S/c1-9-16(17(23)19-3)25-14(21-9)7-5-12-10(2)24-22-15(12)13-6-4-11(18)8-20-13/h4,6,8H,5,7H2,1-3H3,(H,19,23)
InChIKeyJULGMNWBEITLMS-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.09
Rot. Bonds5

About 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59568532) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID59568532
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(CCc2c(-c3ccc(F)cn3)noc2C)nc1C
InChIInChI=1S/C17H17FN4O2S/c1-9-16(17(23)19-3)25-14(21-9)7-5-12-10(2)24-22-15(12)13-6-4-11(18)8-20-13/h4,6,8H,5,7H2,1-3H3,(H,19,23)
InChIKeyJULGMNWBEITLMS-UHFFFAOYSA-N
XLogP3.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 59568532) is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(CCc2c(-c3ccc(F)cn3)noc2C)nc1C.
What is the InChIKey of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JULGMNWBEITLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-9-16(17(23)19-3)25-14(21-9)7-5-12-10(2)24-22-15(12)13-6-4-11(18)8-20-13/h4,6,8H,5,7H2,1-3H3,(H,19,23).
What are the key properties of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).