N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H15ClF3N3O2S — CID 118218726

IUPACN-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)C(=O)N(c1ccccc1Cl)CC2
InChIInChI=1S/C21H15ClF3N3O2S/c22-14-3-1-2-4-16(14)28-10-9-15-18(19(28)30)31-20(26-15)27-17(29)11-12-5-7-13(8-6-12)21(23,24)25/h1-8H,9-11H2,(H,26,27,29)
InChIKeyZUTWNKGZZNOEAN-UHFFFAOYSA-N
MW465.88 g/mol
LogP5.20
Rot. Bonds4

About N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 118218726) has the molecular formula C21H15ClF3N3O2S and a molecular weight of 465.88 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID118218726
Molecular FormulaC21H15ClF3N3O2S
Molecular Weight465.88 g/mol
Exact Mass465.05
IUPAC NameN-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)C(=O)N(c1ccccc1Cl)CC2
InChIInChI=1S/C21H15ClF3N3O2S/c22-14-3-1-2-4-16(14)28-10-9-15-18(19(28)30)31-20(26-15)27-17(29)11-12-5-7-13(8-6-12)21(23,24)25/h1-8H,9-11H2,(H,26,27,29)
InChIKeyZUTWNKGZZNOEAN-UHFFFAOYSA-N
XLogP5.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118218682
N-[5-(2,4-dichlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-(4-ethylsulfonyl-2-fluorophenyl)acetamide
CID 118218729
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 25299245
N-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 103892875
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528592
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526706
2-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 4577274
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 119099848

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 118218726) is N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc2c(s1)C(=O)N(c1ccccc1Cl)CC2.
What is the InChIKey of N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZUTWNKGZZNOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2S/c22-14-3-1-2-4-16(14)28-10-9-15-18(19(28)30)31-20(26-15)27-17(29)11-12-5-7-13(8-6-12)21(23,24)25/h1-8H,9-11H2,(H,26,27,29).
What are the key properties of N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.88 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 118218726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).