2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C21H23N5OS — CID 71543736

IUPAC2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCCOc1nc(CCc2nc(-c3nccs3)cn2C)nc2c(C)ccc(C)c12
InChIInChI=1S/C21H23N5OS/c1-5-27-20-18-13(2)6-7-14(3)19(18)24-16(25-20)8-9-17-23-15(12-26(17)4)21-22-10-11-28-21/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyRSWMWDNKGUBQHI-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 71543736) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID71543736
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCCOc1nc(CCc2nc(-c3nccs3)cn2C)nc2c(C)ccc(C)c12
InChIInChI=1S/C21H23N5OS/c1-5-27-20-18-13(2)6-7-14(3)19(18)24-16(25-20)8-9-17-23-15(12-26(17)4)21-22-10-11-28-21/h6-7,10-12H,5,8-9H2,1-4H3
InChIKeyRSWMWDNKGUBQHI-UHFFFAOYSA-N
XLogP4.29
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 71543736) is 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is CCOc1nc(CCc2nc(-c3nccs3)cn2C)nc2c(C)ccc(C)c12.
What is the InChIKey of 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is RSWMWDNKGUBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-5-27-20-18-13(2)6-7-14(3)19(18)24-16(25-20)8-9-17-23-15(12-26(17)4)21-22-10-11-28-21/h6-7,10-12H,5,8-9H2,1-4H3.
What are the key properties of 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 393.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-ethoxy-5,8-dimethylquinazolin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 71543736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).