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

C15H7F6N3OS2 — CID 108766428

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7F6N3OS2/c16-14(17,18)8-4-7(5-9(6-8)15(19,20)21)11(25)22-13-24-23-12(27-13)10-2-1-3-26-10/h1-6H,(H,22,24,25)
InChIKeyCCHSKFWILYMAPM-UHFFFAOYSA-N
MW423.36 g/mol
LogP5.56
Rot. Bonds3

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

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 108766428) has the molecular formula C15H7F6N3OS2 and a molecular weight of 423.36 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID108766428
Molecular FormulaC15H7F6N3OS2
Molecular Weight423.36 g/mol
Exact Mass422.99
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7F6N3OS2/c16-14(17,18)8-4-7(5-9(6-8)15(19,20)21)11(25)22-13-24-23-12(27-13)10-2-1-3-26-10/h1-6H,(H,22,24,25)
InChIKeyCCHSKFWILYMAPM-UHFFFAOYSA-N
XLogP5.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 24506360
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
2-(4-fluorophenyl)-1,3-dioxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide
CID 108744002
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
CID 2881332
1,3-dioxo-2-propan-2-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide
CID 108766321
1-methyl-2-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120805
6-oxo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108744010
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306
3-nitro-4-pyrrolidin-1-yl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108744019

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (CID 108766428) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2cccs2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is CCHSKFWILYMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3OS2/c16-14(17,18)8-4-7(5-9(6-8)15(19,20)21)11(25)22-13-24-23-12(27-13)10-2-1-3-26-10/h1-6H,(H,22,24,25).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 423.36 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 108766428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).