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

C8H13N3OS — CID 20719844

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C)ns1
InChIInChI=1S/C8H13N3OS/c1-3-4-5-7(12)10-8-9-6(2)11-13-8/h3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyQNCJGIOSJFTJSL-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.98
Rot. Bonds4

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide (PubChem CID 20719844) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
PubChem CID20719844
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1nc(C)ns1
InChIInChI=1S/C8H13N3OS/c1-3-4-5-7(12)10-8-9-6(2)11-13-8/h3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyQNCJGIOSJFTJSL-UHFFFAOYSA-N
XLogP1.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.98
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
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
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984
N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688989
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hexanamide
CID 57911698
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 58563878
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide
CID 58563930
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide
CID 67953148
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide
CID 67953665

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide (CID 20719844) is N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide is CCCCC(=O)Nc1nc(C)ns1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
The InChIKey is QNCJGIOSJFTJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-3-4-5-7(12)10-8-9-6(2)11-13-8/h3-5H2,1-2H3,(H,9,10,11,12).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide has a molecular weight of 199.28 g/mol, XLogP of 1.98, 4 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)pentanamide is sourced from PubChem (CID 20719844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).