N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide

C20H13F3N4OS2 — CID 2727910

IUPACN-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnc(Nc3ccccc3C(F)(F)F)s2)cc1)c1cccs1
InChIInChI=1S/C20H13F3N4OS2/c21-20(22,23)14-4-1-2-5-15(14)25-19-27-26-18(30-19)12-7-9-13(10-8-12)24-17(28)16-6-3-11-29-16/h1-11H,(H,24,28)(H,25,27)
InChIKeyMPQMAWWDSUDVSB-UHFFFAOYSA-N
MW446.48 g/mol
LogP6.28
Rot. Bonds5

About N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 2727910) has the molecular formula C20H13F3N4OS2 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID2727910
Molecular FormulaC20H13F3N4OS2
Molecular Weight446.48 g/mol
Exact Mass446.05
IUPAC NameN-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nnc(Nc3ccccc3C(F)(F)F)s2)cc1)c1cccs1
InChIInChI=1S/C20H13F3N4OS2/c21-20(22,23)14-4-1-2-5-15(14)25-19-27-26-18(30-19)12-7-9-13(10-8-12)24-17(28)16-6-3-11-29-16/h1-11H,(H,24,28)(H,25,27)
InChIKeyMPQMAWWDSUDVSB-UHFFFAOYSA-N
XLogP6.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58958518
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22780441
N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
CID 112986746
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide
CID 11200464
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thiophene-2-carboxamide
CID 43020450
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
N-[(2R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 7399918
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide (CID 2727910) is N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nnc(Nc3ccccc3C(F)(F)F)s2)cc1)c1cccs1.
What is the InChIKey of N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is MPQMAWWDSUDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS2/c21-20(22,23)14-4-1-2-5-15(14)25-19-27-26-18(30-19)12-7-9-13(10-8-12)24-17(28)16-6-3-11-29-16/h1-11H,(H,24,28)(H,25,27).
What are the key properties of N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2727910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).