[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol

C13H12N4OS — CID 167449130

IUPAC[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
SMILESOC(c1ncc(Cc2ccncc2)[nH]1)c1cncs1
InChIInChI=1S/C13H12N4OS/c18-12(11-7-15-8-19-11)13-16-6-10(17-13)5-9-1-3-14-4-2-9/h1-4,6-8,12,18H,5H2,(H,16,17)
InChIKeyQXLVNLYFDULXEL-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.93
Rot. Bonds4

About [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol

[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol (PubChem CID 167449130) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
PubChem CID167449130
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
SMILESOC(c1ncc(Cc2ccncc2)[nH]1)c1cncs1
InChIInChI=1S/C13H12N4OS/c18-12(11-7-15-8-19-11)13-16-6-10(17-13)5-9-1-3-14-4-2-9/h1-4,6-8,12,18H,5H2,(H,16,17)
InChIKeyQXLVNLYFDULXEL-UHFFFAOYSA-N
XLogP1.93
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The IUPAC name of [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol (CID 167449130) is [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol is OC(c1ncc(Cc2ccncc2)[nH]1)c1cncs1.
What is the InChIKey of [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The InChIKey is QXLVNLYFDULXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c18-12(11-7-15-8-19-11)13-16-6-10(17-13)5-9-1-3-14-4-2-9/h1-4,6-8,12,18H,5H2,(H,16,17).
What are the key properties of [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol has a molecular weight of 272.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 167449130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).