N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine

C15H8BrClN4S — CID 171089475

IUPACN-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine
SMILESClc1cc2c(Nc3ccc4ncsc4c3)ncnc2cc1Br
InChIInChI=1S/C15H8BrClN4S/c16-10-5-13-9(4-11(10)17)15(19-6-18-13)21-8-1-2-12-14(3-8)22-7-20-12/h1-7H,(H,18,19,21)
InChIKeyKQIOFBIAMHQMGW-UHFFFAOYSA-N
MW391.68 g/mol
LogP5.40
Rot. Bonds2

About N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine

N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 171089475) has the molecular formula C15H8BrClN4S and a molecular weight of 391.68 g/mol. Its IUPAC name is N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine
PubChem CID171089475
Molecular FormulaC15H8BrClN4S
Molecular Weight391.68 g/mol
Exact Mass389.93
IUPAC NameN-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine
SMILESClc1cc2c(Nc3ccc4ncsc4c3)ncnc2cc1Br
InChIInChI=1S/C15H8BrClN4S/c16-10-5-13-9(4-11(10)17)15(19-6-18-13)21-8-1-2-12-14(3-8)22-7-20-12/h1-7H,(H,18,19,21)
InChIKeyKQIOFBIAMHQMGW-UHFFFAOYSA-N
XLogP5.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1,3-benzothiazol-6-yl)-7-methoxyquinazoline-4,6-diamine
CID 171088906
5-bromo-6-chloro-1,3-benzothiazole
CID 162381468
4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 131745853
4-N-(1,3-benzothiazol-6-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107801945
2-N-(1,3-benzothiazol-6-yl)-4,5-dichlorobenzene-1,2-diamine
CID 107802808
N-[7-chloro-6-(6-methoxy-2-pyridinyl)quinazolin-4-yl]-1,3-benzothiazol-5-amine
CID 177371830
ethane;N-(7-methoxy-6-methylquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 144534778
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 146437991

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine (CID 171089475) is N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine is Clc1cc2c(Nc3ccc4ncsc4c3)ncnc2cc1Br.
What is the InChIKey of N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is KQIOFBIAMHQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClN4S/c16-10-5-13-9(4-11(10)17)15(19-6-18-13)21-8-1-2-12-14(3-8)22-7-20-12/h1-7H,(H,18,19,21).
What are the key properties of N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine?
N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 391.68 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 171089475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).