2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol

C7H7N3OS — CID 130501332

IUPAC2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
SMILESCn1cc(-c2nc(O)cs2)cn1
InChIInChI=1S/C7H7N3OS/c1-10-3-5(2-8-10)7-9-6(11)4-12-7/h2-4,11H,1H3
InChIKeyIULLYZVEOCZCIC-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.25
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol

2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol (PubChem CID 130501332) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
PubChem CID130501332
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
SMILESCn1cc(-c2nc(O)cs2)cn1
InChIInChI=1S/C7H7N3OS/c1-10-3-5(2-8-10)7-9-6(11)4-12-7/h2-4,11H,1H3
InChIKeyIULLYZVEOCZCIC-UHFFFAOYSA-N
XLogP1.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole
CID 79402194
2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazol-5-ol
CID 132371401
2-Methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-thiazole
CID 68165916
4-Chloro-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 83157990
2-(1-Methyl-1H-pyrazol-4-yl)-1,3-thiazole
CID 90120290
4-Methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115641464
4-Methyl-2-[(4-methylpyrazol-1-yl)methyl]-1,3-thiazole
CID 121291126
2-(1-Propylpyrazol-4-yl)-1,3-thiazole
CID 123221728
2-[1-(2-Methylpropyl)pyrazol-4-yl]-1,3-thiazole
CID 141392260
5-Deuterio-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 176372164
1-[4-(4-Chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane
CID 177229867
2-(1-Tert-butylpyrazol-4-yl)-1,3-thiazole
CID 177780680

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol (CID 130501332) is 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol is Cn1cc(-c2nc(O)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol?
The InChIKey is IULLYZVEOCZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-10-3-5(2-8-10)7-9-6(11)4-12-7/h2-4,11H,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol?
2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol has a molecular weight of 181.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).