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

C11H15N3O3S — CID 143947015

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol
SMILESCc1nc(-c2ncc(C(O)C(O)CCO)[nH]2)cs1
InChIInChI=1S/C11H15N3O3S/c1-6-13-8(5-18-6)11-12-4-7(14-11)10(17)9(16)2-3-15/h4-5,9-10,15-17H,2-3H2,1H3,(H,12,14)
InChIKeyDWTQAEHXAUJYIU-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.62
Rot. Bonds5

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

1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol (PubChem CID 143947015) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol
PubChem CID143947015
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol
SMILESCc1nc(-c2ncc(C(O)C(O)CCO)[nH]2)cs1
InChIInChI=1S/C11H15N3O3S/c1-6-13-8(5-18-6)11-12-4-7(14-11)10(17)9(16)2-3-15/h4-5,9-10,15-17H,2-3H2,1H3,(H,12,14)
InChIKeyDWTQAEHXAUJYIU-UHFFFAOYSA-N
XLogP0.62
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol (CID 143947015) is 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol is Cc1nc(-c2ncc(C(O)C(O)CCO)[nH]2)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol?
The InChIKey is DWTQAEHXAUJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-13-8(5-18-6)11-12-4-7(14-11)10(17)9(16)2-3-15/h4-5,9-10,15-17H,2-3H2,1H3,(H,12,14).
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol?
1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol has a molecular weight of 269.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-5-yl]butane-1,2,4-triol is sourced from PubChem (CID 143947015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).