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2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol

C9H18N4O2S2 — CID 167336928

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1sc(C(C)(C)O)nc1CN(C)C
InChIInChI=1S/C9H18N4O2S2/c1-9(2,14)8-12-6(5-13(3)4)7(16-8)17(10,11)15/h14H,5H2,1-4H3,(H3,10,11,15)
InChIKeyABATUOMMAWCXNR-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.71
Rot. Bonds4

About 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol

2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 167336928) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID167336928
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC Name2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1sc(C(C)(C)O)nc1CN(C)C
InChIInChI=1S/C9H18N4O2S2/c1-9(2,14)8-12-6(5-13(3)4)7(16-8)17(10,11)15/h14H,5H2,1-4H3,(H3,10,11,15)
InChIKeyABATUOMMAWCXNR-UHFFFAOYSA-N
XLogP0.71
TPSA103.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol (CID 167336928) is 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol is [H]N=S(N)(=O)c1sc(C(C)(C)O)nc1CN(C)C.
What is the InChIKey of 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is ABATUOMMAWCXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-9(2,14)8-12-6(5-13(3)4)7(16-8)17(10,11)15/h14H,5H2,1-4H3,(H3,10,11,15).
What are the key properties of 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol?
2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminosulfonimidoyl)-4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 167336928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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