2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C10H14N4O3S2 — CID 82531675

IUPAC2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CS(=O)(=O)CCC#N)s1
InChIInChI=1S/C10H14N4O3S2/c1-7(2)9-13-14-10(18-9)12-8(15)6-19(16,17)5-3-4-11/h7H,3,5-6H2,1-2H3,(H,12,14,15)
InChIKeyBOIZPAOMSYRXQL-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.93
Rot. Bonds6

About 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 82531675) has the molecular formula C10H14N4O3S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID82531675
Molecular FormulaC10H14N4O3S2
Molecular Weight302.38 g/mol
Exact Mass302.05
IUPAC Name2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CS(=O)(=O)CCC#N)s1
InChIInChI=1S/C10H14N4O3S2/c1-7(2)9-13-14-10(18-9)12-8(15)6-19(16,17)5-3-4-11/h7H,3,5-6H2,1-2H3,(H,12,14,15)
InChIKeyBOIZPAOMSYRXQL-UHFFFAOYSA-N
XLogP0.93
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyanopropylsulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531604
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
4-(cyanomethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179647
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247174
2-(2-cyanoethylsulfonyl)-N-(2,5-dimethylphenyl)acetamide
CID 82181488
2-(cyclopropylmethylamino)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119695516
2,2-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 5151390
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide
CID 82531524
N-butyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 3065368

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 82531675) is 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CS(=O)(=O)CCC#N)s1.
What is the InChIKey of 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BOIZPAOMSYRXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S2/c1-7(2)9-13-14-10(18-9)12-8(15)6-19(16,17)5-3-4-11/h7H,3,5-6H2,1-2H3,(H,12,14,15).
What are the key properties of 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 82531675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).