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

C14H15F2N3OS — CID 18194623

IUPAC3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2N3OS/c1-3-8(4-2)13-18-19-14(21-13)17-12(20)9-5-6-10(15)11(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyVVEXCWHEXNHVQP-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.97
Rot. Bonds5

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

3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 18194623) has the molecular formula C14H15F2N3OS and a molecular weight of 311.36 g/mol. Its IUPAC name is 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID18194623
Molecular FormulaC14H15F2N3OS
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2N3OS/c1-3-8(4-2)13-18-19-14(21-13)17-12(20)9-5-6-10(15)11(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyVVEXCWHEXNHVQP-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.97
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
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
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
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
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2-(3-bromo-4-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 52691876

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 18194623) is 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCC(CC)c1nnc(NC(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VVEXCWHEXNHVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS/c1-3-8(4-2)13-18-19-14(21-13)17-12(20)9-5-6-10(15)11(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,19,20).
What are the key properties of 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 311.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 18194623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).