3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide

C20H18F2N2O2S — CID 59432547

IUPAC3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C20H18F2N2O2S/c1-12(10-26-2)24-20(25)15-6-13(17-4-3-16(21)8-18(17)22)5-14(7-15)19-9-23-11-27-19/h3-9,11-12H,10H2,1-2H3,(H,24,25)
InChIKeyOKVXJJWCNMWFGF-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.52
Rot. Bonds6

About 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide

3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide (PubChem CID 59432547) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
PubChem CID59432547
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C20H18F2N2O2S/c1-12(10-26-2)24-20(25)15-6-13(17-4-3-16(21)8-18(17)22)5-14(7-15)19-9-23-11-27-19/h3-9,11-12H,10H2,1-2H3,(H,24,25)
InChIKeyOKVXJJWCNMWFGF-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide (CID 59432547) is 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide is COCC(C)NC(=O)c1cc(-c2cncs2)cc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
The InChIKey is OKVXJJWCNMWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-12(10-26-2)24-20(25)15-6-13(17-4-3-16(21)8-18(17)22)5-14(7-15)19-9-23-11-27-19/h3-9,11-12H,10H2,1-2H3,(H,24,25).
What are the key properties of 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide?
3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide has a molecular weight of 388.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 59432547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).