N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide

C10H11N3O4S2 — CID 82531524

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide
SMILESCC(=O)c1sc(NC(=O)CS(=O)(=O)CC#N)nc1C
InChIInChI=1S/C10H11N3O4S2/c1-6-9(7(2)14)18-10(12-6)13-8(15)5-19(16,17)4-3-11/h4-5H2,1-2H3,(H,12,13,15)
InChIKeyLTVKQDAXKUSHJU-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.53
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide (PubChem CID 82531524) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide
PubChem CID82531524
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide
SMILESCC(=O)c1sc(NC(=O)CS(=O)(=O)CC#N)nc1C
InChIInChI=1S/C10H11N3O4S2/c1-6-9(7(2)14)18-10(12-6)13-8(15)5-19(16,17)4-3-11/h4-5H2,1-2H3,(H,12,13,15)
InChIKeyLTVKQDAXKUSHJU-UHFFFAOYSA-N
XLogP0.53
TPSA116.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-cyanoethylsulfanyl)acetamide
CID 82531366
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 43853851
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254698
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
methyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82531751
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849339
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 166273875
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 4801918
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 19178514
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108808019
2-(2-cyanoethylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82531675

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide (CID 82531524) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide is CC(=O)c1sc(NC(=O)CS(=O)(=O)CC#N)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide?
The InChIKey is LTVKQDAXKUSHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-6-9(7(2)14)18-10(12-6)13-8(15)5-19(16,17)4-3-11/h4-5H2,1-2H3,(H,12,13,15).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(cyanomethylsulfonyl)acetamide is sourced from PubChem (CID 82531524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).