N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide

C20H13F2N3O2S — CID 24764651

IUPACN-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ncc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C20H13F2N3O2S/c1-11-5-6-12(19-23-7-8-27-19)9-13(11)20-24-10-16(28-20)18(26)25-17-14(21)3-2-4-15(17)22/h2-10H,1H3,(H,25,26)
InChIKeyFVGWRLZTUYEGMK-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide

N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 24764651) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID24764651
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncco2)cc1-c1ncc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C20H13F2N3O2S/c1-11-5-6-12(19-23-7-8-27-19)9-13(11)20-24-10-16(28-20)18(26)25-17-14(21)3-2-4-15(17)22/h2-10H,1H3,(H,25,26)
InChIKeyFVGWRLZTUYEGMK-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 24764651) is N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ncco2)cc1-c1ncc(C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FVGWRLZTUYEGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-5-6-12(19-23-7-8-27-19)9-13(11)20-24-10-16(28-20)18(26)25-17-14(21)3-2-4-15(17)22/h2-10H,1H3,(H,25,26).
What are the key properties of N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24764651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).