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

C19H21N3O2S — CID 118709534

IUPAC4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccnc(OCCOC)c3)cs2)ccn1
InChIInChI=1S/C19H21N3O2S/c1-3-4-16-11-15(6-7-20-16)19-22-17(13-25-19)14-5-8-21-18(12-14)24-10-9-23-2/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyVEMIHEODGKJFBE-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.24
Rot. Bonds8

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

4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709534) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709534
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccnc(OCCOC)c3)cs2)ccn1
InChIInChI=1S/C19H21N3O2S/c1-3-4-16-11-15(6-7-20-16)19-22-17(13-25-19)14-5-8-21-18(12-14)24-10-9-23-2/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyVEMIHEODGKJFBE-UHFFFAOYSA-N
XLogP4.24
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709534) is 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccnc(OCCOC)c3)cs2)ccn1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is VEMIHEODGKJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-4-16-11-15(6-7-20-16)19-22-17(13-25-19)14-5-8-21-18(12-14)24-10-9-23-2/h5-8,11-13H,3-4,9-10H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 355.46 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)-4-pyridinyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).