7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one

C13H11N3O2S — CID 140990795

IUPAC7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one
SMILESCc1nc(COc2ccc3cnc(=O)[nH]c3c2)cs1
InChIInChI=1S/C13H11N3O2S/c1-8-15-10(7-19-8)6-18-11-3-2-9-5-14-13(17)16-12(9)4-11/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKeyKHRYYFSNYLHUBH-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.27
Rot. Bonds3

About 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one

7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one (PubChem CID 140990795) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one
PubChem CID140990795
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one
SMILESCc1nc(COc2ccc3cnc(=O)[nH]c3c2)cs1
InChIInChI=1S/C13H11N3O2S/c1-8-15-10(7-19-8)6-18-11-3-2-9-5-14-13(17)16-12(9)4-11/h2-5,7H,6H2,1H3,(H,14,16,17)
InChIKeyKHRYYFSNYLHUBH-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one?
The IUPAC name of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one (CID 140990795) is 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one.
What is the SMILES notation for 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one?
The canonical SMILES for 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one is Cc1nc(COc2ccc3cnc(=O)[nH]c3c2)cs1.
What is the InChIKey of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one?
The InChIKey is KHRYYFSNYLHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-15-10(7-19-8)6-18-11-3-2-9-5-14-13(17)16-12(9)4-11/h2-5,7H,6H2,1H3,(H,14,16,17).
What are the key properties of 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one?
7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one has a molecular weight of 273.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one is sourced from PubChem (CID 140990795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).