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

C6H11N3O2S2 — CID 146515041

IUPAC2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1nc(C(C)(C)O)cs1
InChIInChI=1S/C6H11N3O2S2/c1-6(2,10)4-3-12-5(9-4)13(7,8)11/h3,10H,1-2H3,(H3,7,8,11)
InChIKeyWVQYRXBNUKIXEK-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.65
Rot. Bonds2

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

2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 146515041) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID146515041
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1nc(C(C)(C)O)cs1
InChIInChI=1S/C6H11N3O2S2/c1-6(2,10)4-3-12-5(9-4)13(7,8)11/h3,10H,1-2H3,(H3,7,8,11)
InChIKeyWVQYRXBNUKIXEK-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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Related Compounds

2-(2-Chloro-1,3-thiazol-4-yl)propan-2-ol
CID 178199940
2-(2-Tert-butyl-1,3-thiazol-4-yl)propan-2-ol
CID 59135133
2-(2-Methyl-1,3-thiazol-4-yl)propan-2-ol
CID 68076341
2-(2-Ethylthiazol-4-yl)propan-2-ol
CID 68086196
2-[2-(Aminomethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 89841272
2-[2-(Propan-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890535
N-tert-butyl-4-(1-hydroxyethyl)-1,3-thiazole-2-sulfonamide
CID 132020202
4-(2-Hydroxypropan-2-yl)thiazole-2-sulfonamide
CID 132020221
4-(1-Hydroxyethyl)-1,3-thiazole-2-sulfonamide
CID 132047790
2-[[4-(2-Hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
CID 138558015
2-(2-Aminosulfanyl-1,3-thiazol-4-yl)propan-2-ol
CID 142522477
4-(2-Hydroxypropan-2-yl)-1,3-thiazole-2-sulfinamide
CID 142522573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol (CID 146515041) is 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol is [H]N=S(N)(=O)c1nc(C(C)(C)O)cs1.
What is the InChIKey of 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is WVQYRXBNUKIXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-6(2,10)4-3-12-5(9-4)13(7,8)11/h3,10H,1-2H3,(H3,7,8,11).
What are the key properties of 2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(aminosulfonimidoyl)-1,3-thiazol-4-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-[2-(aminosulfonimidoyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 146515041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).