N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine

C15H9BrN4S — CID 5328240

IUPACN-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4ncsc4cc23)c1
InChIInChI=1S/C15H9BrN4S/c16-9-2-1-3-10(4-9)20-15-11-5-14-13(19-8-21-14)6-12(11)17-7-18-15/h1-8H,(H,17,18,20)
InChIKeyIRGSEHJOWJXKPV-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.75
Rot. Bonds2

About N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine

N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine (PubChem CID 5328240) has the molecular formula C15H9BrN4S and a molecular weight of 357.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine
PubChem CID5328240
Molecular FormulaC15H9BrN4S
Molecular Weight357.24 g/mol
Exact Mass355.97
IUPAC NameN-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine
SMILESBrc1cccc(Nc2ncnc3cc4ncsc4cc23)c1
InChIInChI=1S/C15H9BrN4S/c16-9-2-1-3-10(4-9)20-15-11-5-14-13(19-8-21-14)6-12(11)17-7-18-15/h1-8H,(H,17,18,20)
InChIKeyIRGSEHJOWJXKPV-UHFFFAOYSA-N
XLogP4.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine?
The IUPAC name of N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine (CID 5328240) is N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine.
What is the SMILES notation for N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine?
The canonical SMILES for N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine is Brc1cccc(Nc2ncnc3cc4ncsc4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine?
The InChIKey is IRGSEHJOWJXKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4S/c16-9-2-1-3-10(4-9)20-15-11-5-14-13(19-8-21-14)6-12(11)17-7-18-15/h1-8H,(H,17,18,20).
What are the key properties of N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine?
N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine has a molecular weight of 357.24 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-[1,3]thiazolo[5,4-g]quinazolin-8-amine is sourced from PubChem (CID 5328240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).