N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide

C14H8F3N3OS2 — CID 47066424

IUPACN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F3N3OS2/c15-14(16,17)10-4-2-1-3-9(10)11(21)18-13-20-19-12(23-13)8-5-6-22-7-8/h1-7H,(H,18,20,21)
InChIKeyVXTLQTDVMSKARB-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.54
Rot. Bonds3

About N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide

N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 47066424) has the molecular formula C14H8F3N3OS2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID47066424
Molecular FormulaC14H8F3N3OS2
Molecular Weight355.37 g/mol
Exact Mass355.01
IUPAC NameN-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8F3N3OS2/c15-14(16,17)10-4-2-1-3-9(10)11(21)18-13-20-19-12(23-13)8-5-6-22-7-8/h1-7H,(H,18,20,21)
InChIKeyVXTLQTDVMSKARB-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide (CID 47066424) is N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2ccsc2)s1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is VXTLQTDVMSKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3OS2/c15-14(16,17)10-4-2-1-3-9(10)11(21)18-13-20-19-12(23-13)8-5-6-22-7-8/h1-7H,(H,18,20,21).
What are the key properties of N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide?
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 355.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 47066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).