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

C13H11N3S — CID 14900464

IUPAC4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESCc1ccc(-c2csc(-n3cccn3)n2)cc1
InChIInChI=1S/C13H11N3S/c1-10-3-5-11(6-4-10)12-9-17-13(15-12)16-8-2-7-14-16/h2-9H,1H3
InChIKeyXHIIKWNNXMXEEK-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds2

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

4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 14900464) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole
PubChem CID14900464
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESCc1ccc(-c2csc(-n3cccn3)n2)cc1
InChIInChI=1S/C13H11N3S/c1-10-3-5-11(6-4-10)12-9-17-13(15-12)16-8-2-7-14-16/h2-9H,1H3
InChIKeyXHIIKWNNXMXEEK-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole (CID 14900464) is 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole is Cc1ccc(-c2csc(-n3cccn3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is XHIIKWNNXMXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-10-3-5-11(6-4-10)12-9-17-13(15-12)16-8-2-7-14-16/h2-9H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole?
4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole has a molecular weight of 241.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 14900464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).