1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone

C5H7N3O2S2 — CID 146618917

IUPAC1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone
SMILES[H]N=S(N)(=O)c1cnc(C(C)=O)s1
InChIInChI=1S/C5H7N3O2S2/c1-3(9)5-8-2-4(11-5)12(6,7)10/h2H,1H3,(H3,6,7,10)
InChIKeyPZPVRHJBUMZWCE-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.63
Rot. Bonds2

About 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone

1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 146618917) has the molecular formula C5H7N3O2S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone
PubChem CID146618917
Molecular FormulaC5H7N3O2S2
Molecular Weight205.26 g/mol
Exact Mass205.00
IUPAC Name1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone
SMILES[H]N=S(N)(=O)c1cnc(C(C)=O)s1
InChIInChI=1S/C5H7N3O2S2/c1-3(9)5-8-2-4(11-5)12(6,7)10/h2H,1H3,(H3,6,7,10)
InChIKeyPZPVRHJBUMZWCE-UHFFFAOYSA-N
XLogP0.63
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 137443476
5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide
CID 153465016
1-[5-(dimethylamino)-1,3-thiazol-2-yl]ethanone
CID 45086499
1-[5-(iodomethyl)-1,3-thiazol-2-yl]ethanone
CID 89328515
2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole
CID 153464980
2-[2-(methoxymethoxy)acetyl]-1,3-thiazole-5-sulfonamide
CID 22406996
2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol
CID 162446267
N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide
CID 146618326
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
ethyl 5-(benzenesulfonyl)-1,3-thiazole-2-carboxylate
CID 130314037
2-amino-1,3-thiazole-5-sulfonic acid
CID 2829719
2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone (CID 146618917) is 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone is [H]N=S(N)(=O)c1cnc(C(C)=O)s1.
What is the InChIKey of 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is PZPVRHJBUMZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S2/c1-3(9)5-8-2-4(11-5)12(6,7)10/h2H,1H3,(H3,6,7,10).
What are the key properties of 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone?
1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 146618917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).