3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide

C21H17FN4O2S — CID 45279968

IUPAC3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2nc(-c3ccc(NC(=O)c4cccc(F)c4C)nc3)c(C)s2)no1
InChIInChI=1S/C21H17FN4O2S/c1-11-9-17(26-28-11)21-25-19(13(3)29-21)14-7-8-18(23-10-14)24-20(27)15-5-4-6-16(22)12(15)2/h4-10H,1-3H3,(H,23,24,27)
InChIKeyHXCYCLQHEYQCGT-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.18
Rot. Bonds4

About 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide

3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide (PubChem CID 45279968) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
PubChem CID45279968
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2nc(-c3ccc(NC(=O)c4cccc(F)c4C)nc3)c(C)s2)no1
InChIInChI=1S/C21H17FN4O2S/c1-11-9-17(26-28-11)21-25-19(13(3)29-21)14-7-8-18(23-10-14)24-20(27)15-5-4-6-16(22)12(15)2/h4-10H,1-3H3,(H,23,24,27)
InChIKeyHXCYCLQHEYQCGT-UHFFFAOYSA-N
XLogP5.18
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide (CID 45279968) is 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide is Cc1cc(-c2nc(-c3ccc(NC(=O)c4cccc(F)c4C)nc3)c(C)s2)no1.
What is the InChIKey of 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
The InChIKey is HXCYCLQHEYQCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-11-9-17(26-28-11)21-25-19(13(3)29-21)14-7-8-18(23-10-14)24-20(27)15-5-4-6-16(22)12(15)2/h4-10H,1-3H3,(H,23,24,27).
What are the key properties of 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide?
3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-[5-[5-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 45279968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).