2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole

C8H9N3S — CID 2805447

IUPAC2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2ccn[nH]2)s1
InChIInChI=1S/C8H9N3S/c1-5-8(12-6(2)10-5)7-3-4-9-11-7/h3-4H,1-2H3,(H,9,11)
InChIKeyXZLKZEOPTRHRHG-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.15
Rot. Bonds1

About 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole

2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 2805447) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID2805447
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCc1nc(C)c(-c2ccn[nH]2)s1
InChIInChI=1S/C8H9N3S/c1-5-8(12-6(2)10-5)7-3-4-9-11-7/h3-4H,1-2H3,(H,9,11)
InChIKeyXZLKZEOPTRHRHG-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (CID 2805447) is 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is Cc1nc(C)c(-c2ccn[nH]2)s1.
What is the InChIKey of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is XZLKZEOPTRHRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5-8(12-6(2)10-5)7-3-4-9-11-7/h3-4H,1-2H3,(H,9,11).
What are the key properties of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 179.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 2805447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).