2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole

C23H19N5S — CID 71544109

IUPAC2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(-c2nccs2)c2ccccc2n1
InChIInChI=1S/C23H19N5S/c1-28-15-19(16-7-3-2-4-8-16)26-21(28)12-11-20-25-18-10-6-5-9-17(18)22(27-20)23-24-13-14-29-23/h2-10,13-15H,11-12H2,1H3
InChIKeyBILOMTIMYNFRKV-UHFFFAOYSA-N
MW397.51 g/mol
LogP4.94
Rot. Bonds5

About 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole

2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole (PubChem CID 71544109) has the molecular formula C23H19N5S and a molecular weight of 397.51 g/mol. Its IUPAC name is 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole
PubChem CID71544109
Molecular FormulaC23H19N5S
Molecular Weight397.51 g/mol
Exact Mass397.14
IUPAC Name2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(-c2nccs2)c2ccccc2n1
InChIInChI=1S/C23H19N5S/c1-28-15-19(16-7-3-2-4-8-16)26-21(28)12-11-20-25-18-10-6-5-9-17(18)22(27-20)23-24-13-14-29-23/h2-10,13-15H,11-12H2,1H3
InChIKeyBILOMTIMYNFRKV-UHFFFAOYSA-N
XLogP4.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole (CID 71544109) is 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole is Cn1cc(-c2ccccc2)nc1CCc1nc(-c2nccs2)c2ccccc2n1.
What is the InChIKey of 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole?
The InChIKey is BILOMTIMYNFRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5S/c1-28-15-19(16-7-3-2-4-8-16)26-21(28)12-11-20-25-18-10-6-5-9-17(18)22(27-20)23-24-13-14-29-23/h2-10,13-15H,11-12H2,1H3.
What are the key properties of 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole?
2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole has a molecular weight of 397.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]-1,3-thiazole is sourced from PubChem (CID 71544109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).