4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C20H22N2O2S — CID 118709520

IUPAC4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(OCCOC)cc3)cs2)ccn1
InChIInChI=1S/C20H22N2O2S/c1-3-4-17-13-16(9-10-21-17)20-22-19(14-25-20)15-5-7-18(8-6-15)24-12-11-23-2/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyPQPQSBVMCMPDLY-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.85
Rot. Bonds8

About 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole

4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709520) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709520
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(OCCOC)cc3)cs2)ccn1
InChIInChI=1S/C20H22N2O2S/c1-3-4-17-13-16(9-10-21-17)20-22-19(14-25-20)15-5-7-18(8-6-15)24-12-11-23-2/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyPQPQSBVMCMPDLY-UHFFFAOYSA-N
XLogP4.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709520) is 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(OCCOC)cc3)cs2)ccn1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is PQPQSBVMCMPDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-4-17-13-16(9-10-21-17)20-22-19(14-25-20)15-5-7-18(8-6-15)24-12-11-23-2/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).