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

C14H16BrN3OS — CID 2675832

IUPAC4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrN3OS/c1-3-9(4-2)13-17-18-14(20-13)16-12(19)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyBCGWALCNLIYGJY-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.46
Rot. Bonds5

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

4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2675832) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2675832
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrN3OS/c1-3-9(4-2)13-17-18-14(20-13)16-12(19)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18,19)
InChIKeyBCGWALCNLIYGJY-UHFFFAOYSA-N
XLogP4.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
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
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 24668061

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 2675832) is 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCC(CC)c1nnc(NC(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is BCGWALCNLIYGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-3-9(4-2)13-17-18-14(20-13)16-12(19)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18,19).
What are the key properties of 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 354.27 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2675832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).