4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole

C15H17NOS — CID 122142391

IUPAC4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
SMILESc1ccc(CCc2nc(C3CCOC3)cs2)cc1
InChIInChI=1S/C15H17NOS/c1-2-4-12(5-3-1)6-7-15-16-14(11-18-15)13-8-9-17-10-13/h1-5,11,13H,6-10H2
InChIKeyJEPLPQLHHZXQSQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.43
Rot. Bonds4

About 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole

4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole (PubChem CID 122142391) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
PubChem CID122142391
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
SMILESc1ccc(CCc2nc(C3CCOC3)cs2)cc1
InChIInChI=1S/C15H17NOS/c1-2-4-12(5-3-1)6-7-15-16-14(11-18-15)13-8-9-17-10-13/h1-5,11,13H,6-10H2
InChIKeyJEPLPQLHHZXQSQ-UHFFFAOYSA-N
XLogP3.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole?
The IUPAC name of 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole (CID 122142391) is 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole?
The canonical SMILES for 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole is c1ccc(CCc2nc(C3CCOC3)cs2)cc1.
What is the InChIKey of 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole?
The InChIKey is JEPLPQLHHZXQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-4-12(5-3-1)6-7-15-16-14(11-18-15)13-8-9-17-10-13/h1-5,11,13H,6-10H2.
What are the key properties of 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole?
4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole has a molecular weight of 259.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 122142391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).