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

C13H11N3OS — CID 1481752

IUPAC4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-n3cccn3)n2)cc1
InChIInChI=1S/C13H11N3OS/c1-17-11-5-3-10(4-6-11)12-9-18-13(15-12)16-8-2-7-14-16/h2-9H,1H3
InChIKeyUYOASPKPKZVTGY-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.00
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 1481752) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
PubChem CID1481752
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(-n3cccn3)n2)cc1
InChIInChI=1S/C13H11N3OS/c1-17-11-5-3-10(4-6-11)12-9-18-13(15-12)16-8-2-7-14-16/h2-9H,1H3
InChIKeyUYOASPKPKZVTGY-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-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole (CID 1481752) is 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole is COc1ccc(-c2csc(-n3cccn3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is UYOASPKPKZVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-11-5-3-10(4-6-11)12-9-18-13(15-12)16-8-2-7-14-16/h2-9H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole?
4-(4-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-(4-methoxyphenyl)-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 1481752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).