2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole

C20H20N2O2S — CID 21360902

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OC1CCCC1
InChIInChI=1S/C20H20N2O2S/c1-23-18-10-9-14(12-19(18)24-15-6-2-3-7-15)20-22-17(13-25-20)16-8-4-5-11-21-16/h4-5,8-13,15H,2-3,6-7H2,1H3
InChIKeyDUKIRUSKMUYPKU-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.20
Rot. Bonds5

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

2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 21360902) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID21360902
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2nc(-c3ccccn3)cs2)cc1OC1CCCC1
InChIInChI=1S/C20H20N2O2S/c1-23-18-10-9-14(12-19(18)24-15-6-2-3-7-15)20-22-17(13-25-20)16-8-4-5-11-21-16/h4-5,8-13,15H,2-3,6-7H2,1H3
InChIKeyDUKIRUSKMUYPKU-UHFFFAOYSA-N
XLogP5.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole (CID 21360902) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole is COc1ccc(-c2nc(-c3ccccn3)cs2)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is DUKIRUSKMUYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-23-18-10-9-14(12-19(18)24-15-6-2-3-7-15)20-22-17(13-25-20)16-8-4-5-11-21-16/h4-5,8-13,15H,2-3,6-7H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole?
2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 352.46 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 21360902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).