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

C15H19N3OS — CID 2675853

IUPAC4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-4-11(5-2)14-17-18-15(20-14)16-13(19)12-8-6-10(3)7-9-12/h6-9,11H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyKLUCBYQEDTWLAK-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.00
Rot. Bonds5

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

4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2675853) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2675853
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-4-11(5-2)14-17-18-15(20-14)16-13(19)12-8-6-10(3)7-9-12/h6-9,11H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyKLUCBYQEDTWLAK-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
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
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 2675853) is 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCC(CC)c1nnc(NC(=O)c2ccc(C)cc2)s1.
What is the InChIKey of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KLUCBYQEDTWLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-11(5-2)14-17-18-15(20-14)16-13(19)12-8-6-10(3)7-9-12/h6-9,11H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2675853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).