(1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol

C11H15N3O4S — CID 25050315

IUPAC(1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
SMILESCc1nc(-c2ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]2)cs1
InChIInChI=1S/C11H15N3O4S/c1-5-13-7(4-19-5)11-12-2-6(14-11)9(17)10(18)8(16)3-15/h2,4,8-10,15-18H,3H2,1H3,(H,12,14)/t8-,9-,10-/m1/s1
InChIKeyWDQBAYNAZJDXIL-OPRDCNLKSA-N
MW285.33 g/mol
LogP-0.41
Rot. Bonds5

About (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol

(1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol (PubChem CID 25050315) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
PubChem CID25050315
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name(1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
SMILESCc1nc(-c2ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]2)cs1
InChIInChI=1S/C11H15N3O4S/c1-5-13-7(4-19-5)11-12-2-6(14-11)9(17)10(18)8(16)3-15/h2,4,8-10,15-18H,3H2,1H3,(H,12,14)/t8-,9-,10-/m1/s1
InChIKeyWDQBAYNAZJDXIL-OPRDCNLKSA-N
XLogP-0.41
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol (CID 25050315) is (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol is Cc1nc(-c2ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]2)cs1.
What is the InChIKey of (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol?
The InChIKey is WDQBAYNAZJDXIL-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-5-13-7(4-19-5)11-12-2-6(14-11)9(17)10(18)8(16)3-15/h2,4,8-10,15-18H,3H2,1H3,(H,12,14)/t8-,9-,10-/m1/s1.
What are the key properties of (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol?
(1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol has a molecular weight of 285.33 g/mol, XLogP of -0.41, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,3,4-tetrol is sourced from PubChem (CID 25050315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).