N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide

C20H13F2N3O2S — CID 24764558

IUPACN-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)Nc2c(F)cccc2F)sc1-c1cccc(-c2ncco2)c1
InChIInChI=1S/C20H13F2N3O2S/c1-11-17(12-4-2-5-13(10-12)19-23-8-9-27-19)28-20(24-11)18(26)25-16-14(21)6-3-7-15(16)22/h2-10H,1H3,(H,25,26)
InChIKeyDRIOHVWTWJBPPO-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.30
Rot. Bonds4

About N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide

N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 24764558) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID24764558
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)Nc2c(F)cccc2F)sc1-c1cccc(-c2ncco2)c1
InChIInChI=1S/C20H13F2N3O2S/c1-11-17(12-4-2-5-13(10-12)19-23-8-9-27-19)28-20(24-11)18(26)25-16-14(21)6-3-7-15(16)22/h2-10H,1H3,(H,25,26)
InChIKeyDRIOHVWTWJBPPO-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)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide (CID 24764558) is N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)Nc2c(F)cccc2F)sc1-c1cccc(-c2ncco2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is DRIOHVWTWJBPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c1-11-17(12-4-2-5-13(10-12)19-23-8-9-27-19)28-20(24-11)18(26)25-16-14(21)6-3-7-15(16)22/h2-10H,1H3,(H,25,26).
What are the key properties of N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide?
N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-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)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 24764558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).