N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C19H12ClF3N4OS — CID 135921696

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1nnc(-c2cc3ccccc3[nH]2)s1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H12ClF3N4OS/c20-12-6-5-11(19(21,22)23)8-14(12)25-16(28)9-17-26-27-18(29-17)15-7-10-3-1-2-4-13(10)24-15/h1-8,24H,9H2,(H,25,28)
InChIKeyINUWYSAHVWXHMV-UHFFFAOYSA-N
MW436.85 g/mol
LogP5.54
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 135921696) has the molecular formula C19H12ClF3N4OS and a molecular weight of 436.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID135921696
Molecular FormulaC19H12ClF3N4OS
Molecular Weight436.85 g/mol
Exact Mass436.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1nnc(-c2cc3ccccc3[nH]2)s1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H12ClF3N4OS/c20-12-6-5-11(19(21,22)23)8-14(12)25-16(28)9-17-26-27-18(29-17)15-7-10-3-1-2-4-13(10)24-15/h1-8,24H,9H2,(H,25,28)
InChIKeyINUWYSAHVWXHMV-UHFFFAOYSA-N
XLogP5.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.85
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 6410307
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1453375
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896870
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 135921696) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1nnc(-c2cc3ccccc3[nH]2)s1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is INUWYSAHVWXHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4OS/c20-12-6-5-11(19(21,22)23)8-14(12)25-16(28)9-17-26-27-18(29-17)15-7-10-3-1-2-4-13(10)24-15/h1-8,24H,9H2,(H,25,28).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 436.85 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(1H-indol-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 135921696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).