[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone

C19H17FN4O2S2 — CID 66643691

IUPAC[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCc1onc(-c2ccc(F)cn2)c1C=Cc1ncc(C(=O)N2CCSCC2)s1
InChIInChI=1S/C19H17FN4O2S2/c1-12-14(18(23-26-12)15-4-2-13(20)10-21-15)3-5-17-22-11-16(28-17)19(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3
InChIKeyMMAFVSXCUZOAKV-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.00
Rot. Bonds4

About [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone

[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone (PubChem CID 66643691) has the molecular formula C19H17FN4O2S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
PubChem CID66643691
Molecular FormulaC19H17FN4O2S2
Molecular Weight416.50 g/mol
Exact Mass416.08
IUPAC Name[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
SMILESCc1onc(-c2ccc(F)cn2)c1C=Cc1ncc(C(=O)N2CCSCC2)s1
InChIInChI=1S/C19H17FN4O2S2/c1-12-14(18(23-26-12)15-4-2-13(20)10-21-15)3-5-17-22-11-16(28-17)19(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3
InChIKeyMMAFVSXCUZOAKV-UHFFFAOYSA-N
XLogP4.00
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone (CID 66643691) is [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone is Cc1onc(-c2ccc(F)cn2)c1C=Cc1ncc(C(=O)N2CCSCC2)s1.
What is the InChIKey of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is MMAFVSXCUZOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S2/c1-12-14(18(23-26-12)15-4-2-13(20)10-21-15)3-5-17-22-11-16(28-17)19(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone?
[2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 416.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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]-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 66643691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).