2-(1H-pyrazol-4-yl)-1,3-thiazole

C6H5N3S — CID 20555356

IUPAC2-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESc1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9)
InChIKeyQYETZDWVJUWUTQ-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.53
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-1,3-thiazole

2-(1H-pyrazol-4-yl)-1,3-thiazole (PubChem CID 20555356) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1,3-thiazole
PubChem CID20555356
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name2-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESc1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9)
InChIKeyQYETZDWVJUWUTQ-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-thiazole (CID 20555356) is 2-(1H-pyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1,3-thiazole is c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1,3-thiazole?
The InChIKey is QYETZDWVJUWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9).
What are the key properties of 2-(1H-pyrazol-4-yl)-1,3-thiazole?
2-(1H-pyrazol-4-yl)-1,3-thiazole has a molecular weight of 151.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 20555356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).