[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol

C13H12N2O3S — CID 61229919

IUPAC[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
SMILESOCc1ccc(Oc2nc3sccn3c2CO)cc1
InChIInChI=1S/C13H12N2O3S/c16-7-9-1-3-10(4-2-9)18-12-11(8-17)15-5-6-19-13(15)14-12/h1-6,16-17H,7-8H2
InChIKeyWZEJJYGJTWTZCY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.17
Rot. Bonds4

About [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol

[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol (PubChem CID 61229919) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
PubChem CID61229919
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
SMILESOCc1ccc(Oc2nc3sccn3c2CO)cc1
InChIInChI=1S/C13H12N2O3S/c16-7-9-1-3-10(4-2-9)18-12-11(8-17)15-5-6-19-13(15)14-12/h1-6,16-17H,7-8H2
InChIKeyWZEJJYGJTWTZCY-UHFFFAOYSA-N
XLogP2.17
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol?
The IUPAC name of [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol (CID 61229919) is [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol is OCc1ccc(Oc2nc3sccn3c2CO)cc1.
What is the InChIKey of [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol?
The InChIKey is WZEJJYGJTWTZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-7-9-1-3-10(4-2-9)18-12-11(8-17)15-5-6-19-13(15)14-12/h1-6,16-17H,7-8H2.
What are the key properties of [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol?
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol has a molecular weight of 276.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol is sourced from PubChem (CID 61229919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).