4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C14H17N3OS — CID 47242361

IUPAC4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-10-6-8-12(9-7-10)4-3-5-13(18)15-14-17-16-11(2)19-14/h6-9H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyNFZNNQLJOKSBDK-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.12
Rot. Bonds5

About 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 47242361) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID47242361
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCc1ccc(CCCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-10-6-8-12(9-7-10)4-3-5-13(18)15-14-17-16-11(2)19-14/h6-9H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyNFZNNQLJOKSBDK-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyanophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 41499605
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229294
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18077203
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
CID 3529063
2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 671679

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 47242361) is 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is Cc1ccc(CCCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is NFZNNQLJOKSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-6-8-12(9-7-10)4-3-5-13(18)15-14-17-16-11(2)19-14/h6-9H,3-5H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 275.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 47242361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).