4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole

C12H7BrClN3S — CID 114031072

IUPAC4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc(Cl)c3cccc(Br)c3n2)cs1
InChIInChI=1S/C12H7BrClN3S/c1-6-15-9(5-18-6)12-16-10-7(11(14)17-12)3-2-4-8(10)13/h2-5H,1H3
InChIKeyZWWRNKOWSDXCCU-UHFFFAOYSA-N
MW340.63 g/mol
LogP4.48
Rot. Bonds1

About 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole

4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole (PubChem CID 114031072) has the molecular formula C12H7BrClN3S and a molecular weight of 340.63 g/mol. Its IUPAC name is 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
PubChem CID114031072
Molecular FormulaC12H7BrClN3S
Molecular Weight340.63 g/mol
Exact Mass338.92
IUPAC Name4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nc(Cl)c3cccc(Br)c3n2)cs1
InChIInChI=1S/C12H7BrClN3S/c1-6-15-9(5-18-6)12-16-10-7(11(14)17-12)3-2-4-8(10)13/h2-5H,1H3
InChIKeyZWWRNKOWSDXCCU-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784
8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
CID 34176296
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
2-(8-bromo-4-chloroquinazolin-2-yl)ethanamine
CID 84813864
8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 114590811
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
CID 114591569
4-chloro-2-(3-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591314
4-chloro-2-(5-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591312
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684

Frequently Asked Questions

What is the IUPAC name of 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole (CID 114031072) is 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2nc(Cl)c3cccc(Br)c3n2)cs1.
What is the InChIKey of 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is ZWWRNKOWSDXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3S/c1-6-15-9(5-18-6)12-16-10-7(11(14)17-12)3-2-4-8(10)13/h2-5H,1H3.
What are the key properties of 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole?
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 340.63 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 114031072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).