5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole

C17H17N3O2S — CID 155354025

IUPAC5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole
SMILESCc1cnc(-c2cc(OCC3COC3)c3ncnc(C)c3c2)s1
InChIInChI=1S/C17H17N3O2S/c1-10-5-18-17(23-10)13-3-14-11(2)19-9-20-16(14)15(4-13)22-8-12-6-21-7-12/h3-5,9,12H,6-8H2,1-2H3
InChIKeyIUQWAJYOXUSFMI-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.40
Rot. Bonds4

About 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole

5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole (PubChem CID 155354025) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole
PubChem CID155354025
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole
SMILESCc1cnc(-c2cc(OCC3COC3)c3ncnc(C)c3c2)s1
InChIInChI=1S/C17H17N3O2S/c1-10-5-18-17(23-10)13-3-14-11(2)19-9-20-16(14)15(4-13)22-8-12-6-21-7-12/h3-5,9,12H,6-8H2,1-2H3
InChIKeyIUQWAJYOXUSFMI-UHFFFAOYSA-N
XLogP3.40
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole (CID 155354025) is 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole is Cc1cnc(-c2cc(OCC3COC3)c3ncnc(C)c3c2)s1.
What is the InChIKey of 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole?
The InChIKey is IUQWAJYOXUSFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-5-18-17(23-10)13-3-14-11(2)19-9-20-16(14)15(4-13)22-8-12-6-21-7-12/h3-5,9,12H,6-8H2,1-2H3.
What are the key properties of 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole?
5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-methyl-8-(oxetan-3-ylmethoxy)quinazolin-6-yl]-1,3-thiazole is sourced from PubChem (CID 155354025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).