2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole

C7H7N3S — CID 18526017

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole
SMILESCc1cc(-c2nccs2)n[nH]1
InChIInChI=1S/C7H7N3S/c1-5-4-6(10-9-5)7-8-2-3-11-7/h2-4H,1H3,(H,9,10)
InChIKeyFVYFZVGBLSPSBG-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.84
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole

2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole (PubChem CID 18526017) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole
PubChem CID18526017
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole
SMILESCc1cc(-c2nccs2)n[nH]1
InChIInChI=1S/C7H7N3S/c1-5-4-6(10-9-5)7-8-2-3-11-7/h2-4H,1H3,(H,9,10)
InChIKeyFVYFZVGBLSPSBG-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole (CID 18526017) is 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole is Cc1cc(-c2nccs2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole?
The InChIKey is FVYFZVGBLSPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-5-4-6(10-9-5)7-8-2-3-11-7/h2-4H,1H3,(H,9,10).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole?
2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 18526017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).