2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide

C18H12BrN5O2S — CID 164828984

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cccnc1)n1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H12BrN5O2S/c19-12-3-4-14-13(8-12)17(26)24(10-22-14)15(11-2-1-5-20-9-11)16(25)23-18-21-6-7-27-18/h1-10,15H,(H,21,23,25)
InChIKeyJWCUGYTXGSLIDN-UHFFFAOYSA-N
MW442.30 g/mol
LogP3.24
Rot. Bonds4

About 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 164828984) has the molecular formula C18H12BrN5O2S and a molecular weight of 442.30 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID164828984
Molecular FormulaC18H12BrN5O2S
Molecular Weight442.30 g/mol
Exact Mass440.99
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1cccnc1)n1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H12BrN5O2S/c19-12-3-4-14-13(8-12)17(26)24(10-22-14)15(11-2-1-5-20-9-11)16(25)23-18-21-6-7-27-18/h1-10,15H,(H,21,23,25)
InChIKeyJWCUGYTXGSLIDN-UHFFFAOYSA-N
XLogP3.24
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide (CID 164828984) is 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1cccnc1)n1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JWCUGYTXGSLIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O2S/c19-12-3-4-14-13(8-12)17(26)24(10-22-14)15(11-2-1-5-20-9-11)16(25)23-18-21-6-7-27-18/h1-10,15H,(H,21,23,25).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 442.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164828984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).