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

C17H9F6N3OS — CID 18273975

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9F6N3OS/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)13(27)24-15-26-25-14(28-15)9-4-2-1-3-5-9/h1-8H,(H,24,26,27)
InChIKeyYLTJSNALSLWUCI-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.49
Rot. Bonds3

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

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 18273975) has the molecular formula C17H9F6N3OS and a molecular weight of 417.33 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID18273975
Molecular FormulaC17H9F6N3OS
Molecular Weight417.33 g/mol
Exact Mass417.04
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H9F6N3OS/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)13(27)24-15-26-25-14(28-15)9-4-2-1-3-5-9/h1-8H,(H,24,26,27)
InChIKeyYLTJSNALSLWUCI-UHFFFAOYSA-N
XLogP5.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108766428
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-[(2R)-1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 98377685
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 24506360
3-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90462721
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 8800607
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 3631774

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide (CID 18273975) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is YLTJSNALSLWUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3OS/c18-16(19,20)11-6-10(7-12(8-11)17(21,22)23)13(27)24-15-26-25-14(28-15)9-4-2-1-3-5-9/h1-8H,(H,24,26,27).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 417.33 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 18273975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).