2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole

C4H7N3OS2 — CID 153464980

IUPAC2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole
SMILES[H]N=S(N)(=O)c1ncc(C)s1
InChIInChI=1S/C4H7N3OS2/c1-3-2-7-4(9-3)10(5,6)8/h2H,1H3,(H3,5,6,8)
InChIKeyIBKBYUFDVAKWSC-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.73
Rot. Bonds1

About 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole

2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole (PubChem CID 153464980) has the molecular formula C4H7N3OS2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole
PubChem CID153464980
Molecular FormulaC4H7N3OS2
Molecular Weight177.25 g/mol
Exact Mass177.00
IUPAC Name2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole
SMILES[H]N=S(N)(=O)c1ncc(C)s1
InChIInChI=1S/C4H7N3OS2/c1-3-2-7-4(9-3)10(5,6)8/h2H,1H3,(H3,5,6,8)
InChIKeyIBKBYUFDVAKWSC-UHFFFAOYSA-N
XLogP0.73
TPSA79.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1,3-thiazol-2-yl)boronic acid
CID 71463789
1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone
CID 146618917
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
2-amino-N-(5-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 16791654
N-(5-methyl-1,3-thiazol-2-yl)propane-1-sulfonamide
CID 60640161
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 115898575
CID 45480495
CID 45480495
(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 42252000
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
4-(5-methyl-1,3-thiazol-2-yl)pyridin-3-amine
CID 82403303
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
CID 130848604

Frequently Asked Questions

What is the IUPAC name of 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole (CID 153464980) is 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole is [H]N=S(N)(=O)c1ncc(C)s1.
What is the InChIKey of 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole?
The InChIKey is IBKBYUFDVAKWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS2/c1-3-2-7-4(9-3)10(5,6)8/h2H,1H3,(H3,5,6,8).
What are the key properties of 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole?
2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole has a molecular weight of 177.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminosulfonimidoyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 153464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).