N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C19H13F5N2O2S — CID 31762041

IUPACN-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F5N2O2S/c20-18(21)28-15-7-5-13(6-8-15)25-16(27)9-14-10-29-17(26-14)11-1-3-12(4-2-11)19(22,23)24/h1-8,10,18H,9H2,(H,25,27)
InChIKeyRTDNDSDTBVALFV-UHFFFAOYSA-N
MW428.38 g/mol
LogP5.61
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 31762041) has the molecular formula C19H13F5N2O2S and a molecular weight of 428.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID31762041
Molecular FormulaC19H13F5N2O2S
Molecular Weight428.38 g/mol
Exact Mass428.06
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F5N2O2S/c20-18(21)28-15-7-5-13(6-8-15)25-16(27)9-14-10-29-17(26-14)11-1-3-12(4-2-11)19(22,23)24/h1-8,10,18H,9H2,(H,25,27)
InChIKeyRTDNDSDTBVALFV-UHFFFAOYSA-N
XLogP5.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.38
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358925
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
4-[2-[(5-fluorosulfonyloxy-3-pyridinyl)amino]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 154873159
N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
N-(2-iodophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701324
(2R)-3-methyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 142371255
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
CID 55794716
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 31762041) is N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is RTDNDSDTBVALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2S/c20-18(21)28-15-7-5-13(6-8-15)25-16(27)9-14-10-29-17(26-14)11-1-3-12(4-2-11)19(22,23)24/h1-8,10,18H,9H2,(H,25,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 428.38 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31762041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).