2-(pyrazol-1-ylmethyl)-1,3-thiazole

C7H7N3S — CID 23114440

IUPAC2-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESc1cnn(Cc2nccs2)c1
InChIInChI=1S/C7H7N3S/c1-2-9-10(4-1)6-7-8-3-5-11-7/h1-5H,6H2
InChIKeyHJEFKLPRHCEYBJ-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.39
Rot. Bonds2

About 2-(pyrazol-1-ylmethyl)-1,3-thiazole

2-(pyrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 23114440) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-1,3-thiazole
PubChem CID23114440
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name2-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESc1cnn(Cc2nccs2)c1
InChIInChI=1S/C7H7N3S/c1-2-9-10(4-1)6-7-8-3-5-11-7/h1-5H,6H2
InChIKeyHJEFKLPRHCEYBJ-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-1,3-thiazole (CID 23114440) is 2-(pyrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-1,3-thiazole is c1cnn(Cc2nccs2)c1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is HJEFKLPRHCEYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-9-10(4-1)6-7-8-3-5-11-7/h1-5H,6H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)-1,3-thiazole?
2-(pyrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 23114440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).