[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol

C9H11N3OS — CID 79596111

IUPAC[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1c(-c2ncc(CO)s2)cnn1C
InChIInChI=1S/C9H11N3OS/c1-6-8(4-11-12(6)2)9-10-3-7(5-13)14-9/h3-4,13H,5H2,1-2H3
InChIKeyVUSKYEMGFIRBOW-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.34
Rot. Bonds2

About [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol

[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 79596111) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol
PubChem CID79596111
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1c(-c2ncc(CO)s2)cnn1C
InChIInChI=1S/C9H11N3OS/c1-6-8(4-11-12(6)2)9-10-3-7(5-13)14-9/h3-4,13H,5H2,1-2H3
InChIKeyVUSKYEMGFIRBOW-UHFFFAOYSA-N
XLogP1.34
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol (CID 79596111) is [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol is Cc1c(-c2ncc(CO)s2)cnn1C.
What is the InChIKey of [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VUSKYEMGFIRBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-8(4-11-12(6)2)9-10-3-7(5-13)14-9/h3-4,13H,5H2,1-2H3.
What are the key properties of [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol?
[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 209.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79596111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).