6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one

C12H7Br2N3OS — CID 991689

IUPAC6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1-c1nccs1
InChIInChI=1S/C12H7Br2N3OS/c1-6-16-10-8(4-7(13)5-9(10)14)11(18)17(6)12-15-2-3-19-12/h2-5H,1H3
InChIKeyPPMMVLRTCNNZJA-UHFFFAOYSA-N
MW401.08 g/mol
LogP3.68
Rot. Bonds1

About 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one

6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one (PubChem CID 991689) has the molecular formula C12H7Br2N3OS and a molecular weight of 401.08 g/mol. Its IUPAC name is 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one
PubChem CID991689
Molecular FormulaC12H7Br2N3OS
Molecular Weight401.08 g/mol
Exact Mass398.87
IUPAC Name6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one
SMILESCc1nc2c(Br)cc(Br)cc2c(=O)n1-c1nccs1
InChIInChI=1S/C12H7Br2N3OS/c1-6-16-10-8(4-7(13)5-9(10)14)11(18)17(6)12-15-2-3-19-12/h2-5H,1H3
InChIKeyPPMMVLRTCNNZJA-UHFFFAOYSA-N
XLogP3.68
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The IUPAC name of 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one (CID 991689) is 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The canonical SMILES for 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one is Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1nccs1.
What is the InChIKey of 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one?
The InChIKey is PPMMVLRTCNNZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3OS/c1-6-16-10-8(4-7(13)5-9(10)14)11(18)17(6)12-15-2-3-19-12/h2-5H,1H3.
What are the key properties of 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one?
6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one has a molecular weight of 401.08 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-methyl-3-(1,3-thiazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 991689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).