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

C13H11N3OS — CID 141265233

IUPAC4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-n2cccn2)n1
InChIInChI=1S/C13H11N3OS/c1-17-12-6-3-2-5-10(12)11-9-18-13(15-11)16-8-4-7-14-16/h2-9H,1H3
InChIKeyWLCCWJDTZZXXMI-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.00
Rot. Bonds3

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

4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 141265233) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
PubChem CID141265233
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESCOc1ccccc1-c1csc(-n2cccn2)n1
InChIInChI=1S/C13H11N3OS/c1-17-12-6-3-2-5-10(12)11-9-18-13(15-11)16-8-4-7-14-16/h2-9H,1H3
InChIKeyWLCCWJDTZZXXMI-UHFFFAOYSA-N
XLogP3.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole (CID 141265233) is 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole is COc1ccccc1-c1csc(-n2cccn2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is WLCCWJDTZZXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-12-6-3-2-5-10(12)11-9-18-13(15-11)16-8-4-7-14-16/h2-9H,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole has a molecular weight of 257.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 141265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).