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

C7H8N4OS — CID 115635315

IUPAC2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)C#N)s1
InChIInChI=1S/C7H8N4OS/c1-4(3-8)6(12)9-7-11-10-5(2)13-7/h4H,1-2H3,(H,9,11,12)
InChIKeyXXPTZLMUMBNXIH-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.94
Rot. Bonds2

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

2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 115635315) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID115635315
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)C#N)s1
InChIInChI=1S/C7H8N4OS/c1-4(3-8)6(12)9-7-11-10-5(2)13-7/h4H,1-2H3,(H,9,11,12)
InChIKeyXXPTZLMUMBNXIH-UHFFFAOYSA-N
XLogP0.94
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
(2R)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2232086
2-(2-ethoxyethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 47066278
2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95321408
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 130645081
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
(2S)-2-(2,3-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566315
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328
(2S)-2-(2,4-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8562589
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 115635315) is 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)C#N)s1.
What is the InChIKey of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is XXPTZLMUMBNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4(3-8)6(12)9-7-11-10-5(2)13-7/h4H,1-2H3,(H,9,11,12).
What are the key properties of 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 196.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 115635315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).