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

C11H13N3OS2 — CID 654028

IUPAC2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C11H13N3OS2/c1-3-7(2)9(15)12-11-14-13-10(17-11)8-5-4-6-16-8/h4-7H,3H2,1-2H3,(H,12,14,15)
InChIKeyDPBQUVPSDSGXLG-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.25
Rot. Bonds4

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

2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 654028) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID654028
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C11H13N3OS2/c1-3-7(2)9(15)12-11-14-13-10(17-11)8-5-4-6-16-8/h4-7H,3H2,1-2H3,(H,12,14,15)
InChIKeyDPBQUVPSDSGXLG-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 654028) is 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CCC(C)C(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is DPBQUVPSDSGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-7(2)9(15)12-11-14-13-10(17-11)8-5-4-6-16-8/h4-7H,3H2,1-2H3,(H,12,14,15).
What are the key properties of 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 267.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 654028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).