8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

C18H15N3OS — CID 86928521

IUPAC8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1csc(-c3ccccc3)n1)NC2=O
InChIInChI=1S/C18H15N3OS/c1-11-6-5-9-13-15(11)20-16(21-17(13)22)14-10-23-18(19-14)12-7-3-2-4-8-12/h2-10,16,20H,1H3,(H,21,22)
InChIKeyRUSXBQNAEFCLTQ-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.97
Rot. Bonds2

About 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one

8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 86928521) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID86928521
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1csc(-c3ccccc3)n1)NC2=O
InChIInChI=1S/C18H15N3OS/c1-11-6-5-9-13-15(11)20-16(21-17(13)22)14-10-23-18(19-14)12-7-3-2-4-8-12/h2-10,16,20H,1H3,(H,21,22)
InChIKeyRUSXBQNAEFCLTQ-UHFFFAOYSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one (CID 86928521) is 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is Cc1cccc2c1NC(c1csc(-c3ccccc3)n1)NC2=O.
What is the InChIKey of 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is RUSXBQNAEFCLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-6-5-9-13-15(11)20-16(21-17(13)22)14-10-23-18(19-14)12-7-3-2-4-8-12/h2-10,16,20H,1H3,(H,21,22).
What are the key properties of 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one?
8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 321.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 86928521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).