9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol

C11H10BrClN2OS — CID 169004899

IUPAC9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol
SMILESOC1(CCl)CSC2=Nc3c(Br)cccc3CN21
InChIInChI=1S/C11H10BrClN2OS/c12-8-3-1-2-7-4-15-10(14-9(7)8)17-6-11(15,16)5-13/h1-3,16H,4-6H2
InChIKeyQBHSMGYBXXRNOO-UHFFFAOYSA-N
MW333.64 g/mol
LogP2.93
Rot. Bonds1

About 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol

9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol (PubChem CID 169004899) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol.

Molecular Properties

Compound Name9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol
PubChem CID169004899
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC Name9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol
SMILESOC1(CCl)CSC2=Nc3c(Br)cccc3CN21
InChIInChI=1S/C11H10BrClN2OS/c12-8-3-1-2-7-4-15-10(14-9(7)8)17-6-11(15,16)5-13/h1-3,16H,4-6H2
InChIKeyQBHSMGYBXXRNOO-UHFFFAOYSA-N
XLogP2.93
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol?
The IUPAC name of 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol (CID 169004899) is 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol.
What is the SMILES notation for 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol?
The canonical SMILES for 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol is OC1(CCl)CSC2=Nc3c(Br)cccc3CN21.
What is the InChIKey of 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol?
The InChIKey is QBHSMGYBXXRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2OS/c12-8-3-1-2-7-4-15-10(14-9(7)8)17-6-11(15,16)5-13/h1-3,16H,4-6H2.
What are the key properties of 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol?
9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol has a molecular weight of 333.64 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-(chloromethyl)-2,5-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-ol is sourced from PubChem (CID 169004899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).