4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole

C15H15N3OS — CID 86214066

IUPAC4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-15(20-10-16-11)7-9-19-13-4-2-12(3-5-13)14-6-8-17-18-14/h2-6,8,10H,7,9H2,1H3,(H,17,18)
InChIKeyQVEFQEQVSXFMCV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.46
Rot. Bonds5

About 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole

4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole (PubChem CID 86214066) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole
PubChem CID86214066
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H15N3OS/c1-11-15(20-10-16-11)7-9-19-13-4-2-12(3-5-13)14-6-8-17-18-14/h2-6,8,10H,7,9H2,1H3,(H,17,18)
InChIKeyQVEFQEQVSXFMCV-UHFFFAOYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole (CID 86214066) is 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole is Cc1ncsc1CCOc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole?
The InChIKey is QVEFQEQVSXFMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-15(20-10-16-11)7-9-19-13-4-2-12(3-5-13)14-6-8-17-18-14/h2-6,8,10H,7,9H2,1H3,(H,17,18).
What are the key properties of 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole?
4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole has a molecular weight of 285.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 86214066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).