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

C6H11N3O2S2 — CID 137443194

IUPAC2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C6H11N3O2S2/c1-6(2,10)5-9-3-4(12-5)13(7,8)11/h3,10H,1-2H3,(H3,7,8,11)
InChIKeyKNUOJGLHPRZQNR-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.65
Rot. Bonds2

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

2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 137443194) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID137443194
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C6H11N3O2S2/c1-6(2,10)5-9-3-4(12-5)13(7,8)11/h3,10H,1-2H3,(H3,7,8,11)
InChIKeyKNUOJGLHPRZQNR-UHFFFAOYSA-N
XLogP0.65
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol (CID 137443194) is 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol is [H]N=S(N)(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is KNUOJGLHPRZQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-6(2,10)5-9-3-4(12-5)13(7,8)11/h3,10H,1-2H3,(H3,7,8,11).
What are the key properties of 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 221.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 137443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).