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

C8H10N4OS — CID 103668444

IUPAC2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)C#N)s1
InChIInChI=1S/C8H10N4OS/c1-3-6-11-12-8(14-6)10-7(13)5(2)4-9/h5H,3H2,1-2H3,(H,10,12,13)
InChIKeyIAMVYQIARYTHOU-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.20
Rot. Bonds3

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

2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 103668444) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID103668444
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)C#N)s1
InChIInChI=1S/C8H10N4OS/c1-3-6-11-12-8(14-6)10-7(13)5(2)4-9/h5H,3H2,1-2H3,(H,10,12,13)
InChIKeyIAMVYQIARYTHOU-UHFFFAOYSA-N
XLogP1.20
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 115635315
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 19256783
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-ylpropanamide
CID 19256692
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-(3-cyanopropylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531236
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531604
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
methyl 2-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]sulfanylacetate
CID 7163793

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 103668444) is 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)C(C)C#N)s1.
What is the InChIKey of 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IAMVYQIARYTHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-3-6-11-12-8(14-6)10-7(13)5(2)4-9/h5H,3H2,1-2H3,(H,10,12,13).
What are the key properties of 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 210.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 103668444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).