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

C13H12N4OS — CID 167449125

IUPAC(S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
SMILESO[C@@H](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)/t12-/m1/s1
InChIKeyQXLVNLYFDULXEL-GFCCVEGCSA-N
MW272.33 g/mol
LogP1.93
Rot. Bonds4

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

(S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol (PubChem CID 167449125) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
PubChem CID167449125
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name(S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
SMILESO[C@@H](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)/t12-/m1/s1
InChIKeyQXLVNLYFDULXEL-GFCCVEGCSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The IUPAC name of (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol (CID 167449125) is (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol is O[C@@H](c1ncc(Cc2ccncc2)[nH]1)c1cncs1.
What is the InChIKey of (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The InChIKey is QXLVNLYFDULXEL-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
(S)-[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 (S)-[5-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 167449125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).