3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C12H15N3OS2 — CID 648154

IUPAC3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C12H15N3OS2/c1-12(2,3)7-9(16)13-11-15-14-10(18-11)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,15,16)
InChIKeyOYPOEZVOLGZFQV-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.64
Rot. Bonds3

About 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide

3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 648154) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID648154
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C12H15N3OS2/c1-12(2,3)7-9(16)13-11-15-14-10(18-11)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,15,16)
InChIKeyOYPOEZVOLGZFQV-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-N-(5-thiophen-2-yl-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

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451531
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 649189
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 695198
N-(5-ethyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 745404
N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809018
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 847037
2-(1-pyrrolidinyl)-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 848960

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 648154) is 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)(C)CC(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is OYPOEZVOLGZFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-12(2,3)7-9(16)13-11-15-14-10(18-11)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,15,16).
What are the key properties of 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 281.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 648154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).