1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol

C7H7N3OS — CID 175852898

IUPAC1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol
SMILESOC(c1ncc[nH]1)c1cncs1
InChIInChI=1S/C7H7N3OS/c11-6(5-3-8-4-12-5)7-9-1-2-10-7/h1-4,6,11H,(H,9,10)
InChIKeyGJXCXSABELRVAW-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.95
Rot. Bonds2

About 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol

1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol (PubChem CID 175852898) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol
PubChem CID175852898
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol
SMILESOC(c1ncc[nH]1)c1cncs1
InChIInChI=1S/C7H7N3OS/c11-6(5-3-8-4-12-5)7-9-1-2-10-7/h1-4,6,11H,(H,9,10)
InChIKeyGJXCXSABELRVAW-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol?
The IUPAC name of 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol (CID 175852898) is 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol?
The canonical SMILES for 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol is OC(c1ncc[nH]1)c1cncs1.
What is the InChIKey of 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol?
The InChIKey is GJXCXSABELRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c11-6(5-3-8-4-12-5)7-9-1-2-10-7/h1-4,6,11H,(H,9,10).
What are the key properties of 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol?
1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol has a molecular weight of 181.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 175852898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).