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

C18H17FN4O2S — CID 66643675

IUPAC2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(C=Cc2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C18H17FN4O2S/c1-3-8-20-18(24)15-10-22-16(26-15)7-5-13-11(2)25-23-17(13)14-6-4-12(19)9-21-14/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)
InChIKeyADEDTGOMBRJJDS-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.95
Rot. Bonds6

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

2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 66643675) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID66643675
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(C=Cc2c(-c3ccc(F)cn3)noc2C)s1
InChIInChI=1S/C18H17FN4O2S/c1-3-8-20-18(24)15-10-22-16(26-15)7-5-13-11(2)25-23-17(13)14-6-4-12(19)9-21-14/h4-7,9-10H,3,8H2,1-2H3,(H,20,24)
InChIKeyADEDTGOMBRJJDS-UHFFFAOYSA-N
XLogP3.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.95
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]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide (CID 66643675) is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-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]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(C=Cc2c(-c3ccc(F)cn3)noc2C)s1.
What is the InChIKey of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is ADEDTGOMBRJJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-3-8-20-18(24)15-10-22-16(26-15)7-5-13-11(2)25-23-17(13)14-6-4-12(19)9-21-14/h4-7,9-10H,3,8H2,1-2H3,(H,20,24).
What are the key properties of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide?
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.95, 6 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]ethenyl]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66643675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).