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

C15H16F3N3OS — CID 35865479

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3N3OS/c1-3-9(4-2)13-20-21-14(23-13)19-12(22)10-5-7-11(8-6-10)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyAYJHFRIOXSDOAA-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.71
Rot. Bonds5

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

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 35865479) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID35865479
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H16F3N3OS/c1-3-9(4-2)13-20-21-14(23-13)19-12(22)10-5-7-11(8-6-10)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyAYJHFRIOXSDOAA-UHFFFAOYSA-N
XLogP4.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide
CID 17257379
4-(2-ethylbutanoylamino)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17309269
4-(methoxymethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 16557264
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 35865479) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide is CCC(CC)c1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is AYJHFRIOXSDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-3-9(4-2)13-20-21-14(23-13)19-12(22)10-5-7-11(8-6-10)15(16,17)18/h5-9H,3-4H2,1-2H3,(H,19,21,22).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 343.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 35865479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).