N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C20H18F3N3O3S2 — CID 55760608

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)sc2C)s1
InChIInChI=1S/C20H18F3N3O3S2/c1-11-18(16-8-7-15(31-16)10-24-12(2)27)26-19(30-11)25-17(28)9-13-3-5-14(6-4-13)29-20(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyXFLBXXYYLCUHID-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 55760608) has the molecular formula C20H18F3N3O3S2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID55760608
Molecular FormulaC20H18F3N3O3S2
Molecular Weight469.51 g/mol
Exact Mass469.07
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)sc2C)s1
InChIInChI=1S/C20H18F3N3O3S2/c1-11-18(16-8-7-15(31-16)10-24-12(2)27)26-19(30-11)25-17(28)9-13-3-5-14(6-4-13)29-20(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,27)(H,25,26,28)
InChIKeyXFLBXXYYLCUHID-UHFFFAOYSA-N
XLogP4.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 37389412
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 120589150
N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30874585
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(2-phenylethoxy)butanamide
CID 112841389
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 37389525
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55669759
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
CID 37389788
3-acetamido-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)propanamide
CID 55600225
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 37389983
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 112818794
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 30874724

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 55760608) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(=O)NCc1ccc(-c2nc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)sc2C)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XFLBXXYYLCUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S2/c1-11-18(16-8-7-15(31-16)10-24-12(2)27)26-19(30-11)25-17(28)9-13-3-5-14(6-4-13)29-20(21,22)23/h3-8H,9-10H2,1-2H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 469.51 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 55760608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).