N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C13H17N3OS2 — CID 847037

IUPACN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C13H17N3OS2/c1-13(2,3)8-11-15-16-12(19-11)14-10(17)7-9-5-4-6-18-9/h4-6H,7-8H2,1-3H3,(H,14,16,17)
InChIKeyBSDYREHAADAWBZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.37
Rot. Bonds4

About N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 847037) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID847037
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C13H17N3OS2/c1-13(2,3)8-11-15-16-12(19-11)14-10(17)7-9-5-4-6-18-9/h4-6H,7-8H2,1-3H3,(H,14,16,17)
InChIKeyBSDYREHAADAWBZ-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 847037) is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is CC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is BSDYREHAADAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-13(2,3)8-11-15-16-12(19-11)14-10(17)7-9-5-4-6-18-9/h4-6H,7-8H2,1-3H3,(H,14,16,17).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 295.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 847037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).