[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol

C8H9N3OS — CID 106717387

IUPAC[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol
SMILESOCc1cn(Cc2nccs2)cn1
InChIInChI=1S/C8H9N3OS/c12-5-7-3-11(6-10-7)4-8-9-1-2-13-8/h1-3,6,12H,4-5H2
InChIKeyZTMQFJXVKYPPIU-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.88
Rot. Bonds3

About [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol

[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol (PubChem CID 106717387) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol
PubChem CID106717387
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol
SMILESOCc1cn(Cc2nccs2)cn1
InChIInChI=1S/C8H9N3OS/c12-5-7-3-11(6-10-7)4-8-9-1-2-13-8/h1-3,6,12H,4-5H2
InChIKeyZTMQFJXVKYPPIU-UHFFFAOYSA-N
XLogP0.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol?
The IUPAC name of [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol (CID 106717387) is [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol is OCc1cn(Cc2nccs2)cn1.
What is the InChIKey of [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol?
The InChIKey is ZTMQFJXVKYPPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c12-5-7-3-11(6-10-7)4-8-9-1-2-13-8/h1-3,6,12H,4-5H2.
What are the key properties of [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol?
[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol has a molecular weight of 195.25 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 106717387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).