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

C7H11N3OS — CID 20719842

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)ns1
InChIInChI=1S/C7H11N3OS/c1-3-4-6(11)9-7-8-5(2)10-12-7/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyPKLPEZRGXOXKGB-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.59
Rot. Bonds3

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (PubChem CID 20719842) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
PubChem CID20719842
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)ns1
InChIInChI=1S/C7H11N3OS/c1-3-4-6(11)9-7-8-5(2)10-12-7/h3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyPKLPEZRGXOXKGB-UHFFFAOYSA-N
XLogP1.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-methyl(1,2,4-thiadiazol-5-yl))butanamide
CID 16455953
N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 84600835
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103516086
2,2,3,3-tetrafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 103734054
2,2,3,3,3-pentafluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 108095561
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130855459
3,3,3-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 132295509
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 154739989
5-Propionamido-3-Trichloromethyl-1,2,4-Thiadiazole
CID 12851605
N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
CID 20719844
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
N-[3-(2-Oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 21458541

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (CID 20719842) is N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is CCCC(=O)Nc1nc(C)ns1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The InChIKey is PKLPEZRGXOXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-4-6(11)9-7-8-5(2)10-12-7/h3-4H2,1-2H3,(H,8,9,10,11).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide has a molecular weight of 185.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is sourced from PubChem (CID 20719842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).