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

C17H15FN4O2S — CID 66643709

IUPACN-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(C=Cc2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C17H15FN4O2S/c1-3-19-17(23)14-9-21-15(25-14)7-5-12-10(2)24-22-16(12)13-6-4-11(18)8-20-13/h4-9H,3H2,1-2H3,(H,19,23)
InChIKeyAMHOIHFGMYIDAV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.56
Rot. Bonds5

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

N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide (PubChem CID 66643709) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide
PubChem CID66643709
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cnc(C=Cc2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C17H15FN4O2S/c1-3-19-17(23)14-9-21-15(25-14)7-5-12-10(2)24-22-16(12)13-6-4-11(18)8-20-13/h4-9H,3H2,1-2H3,(H,19,23)
InChIKeyAMHOIHFGMYIDAV-UHFFFAOYSA-N
XLogP3.56
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239163
(2S)-3-phenyl-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 72945162
5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
US11306078, Example 1.051
CID 141678175
US11306078, Example 1.02
CID 141748967
US11306078, Example 1.033
CID 141749047
N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122190963
N-(4-fluorophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46897734
N-(4-fluorophenyl)-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46897735
5-phenyl-N-(2-(thiazole-2-carboxamido)ethyl)isoxazole-3-carboxamide
CID 60167711
N-((5-(4-fluorophenyl)isoxazol-3-yl)methyl)-2,4-dimethylthiazole-5-carboxamide
CID 45511193
N-(2-pyridin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 60167619

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide (CID 66643709) is N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide is CCNC(=O)c1cnc(C=Cc2c(-c3ccc(F)cn3)noc2C)s1.
What is the InChIKey of N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AMHOIHFGMYIDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-3-19-17(23)14-9-21-15(25-14)7-5-12-10(2)24-22-16(12)13-6-4-11(18)8-20-13/h4-9H,3H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide?
N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66643709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).