2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C20H18F2N2O2S — CID 18287994

IUPAC2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3cc(C)ccc3OC(F)F)cs2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12-3-6-14(7-4-12)23-18(25)10-19-24-16(11-27-19)15-9-13(2)5-8-17(15)26-20(21)22/h3-9,11,20H,10H2,1-2H3,(H,23,25)
InChIKeyWSOVLVZBAJVRHJ-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.21
Rot. Bonds6

About 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 18287994) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID18287994
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3cc(C)ccc3OC(F)F)cs2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12-3-6-14(7-4-12)23-18(25)10-19-24-16(11-27-19)15-9-13(2)5-8-17(15)26-20(21)22/h3-9,11,20H,10H2,1-2H3,(H,23,25)
InChIKeyWSOVLVZBAJVRHJ-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 2475630
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8962875
N-(4-methylphenyl)-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 8750257
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-[4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9343710
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
methyl 4-[2,5-dimethyl-3-[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]pyrrol-1-yl]butanoate
CID 154774198
2-[4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 60529050
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 18287994) is 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cc2nc(-c3cc(C)ccc3OC(F)F)cs2)cc1.
What is the InChIKey of 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is WSOVLVZBAJVRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-12-3-6-14(7-4-12)23-18(25)10-19-24-16(11-27-19)15-9-13(2)5-8-17(15)26-20(21)22/h3-9,11,20H,10H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 388.44 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18287994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).