N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine

C14H10BrClN2S — CID 53414874

IUPACN-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
SMILESCc1ccc(Br)cc1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H10BrClN2S/c1-8-2-3-9(15)6-12(8)18-14-17-11-5-4-10(16)7-13(11)19-14/h2-7H,1H3,(H,17,18)
InChIKeyKLPKZABWAKVDMI-UHFFFAOYSA-N
MW353.67 g/mol
LogP5.76
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine

N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine (PubChem CID 53414874) has the molecular formula C14H10BrClN2S and a molecular weight of 353.67 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
PubChem CID53414874
Molecular FormulaC14H10BrClN2S
Molecular Weight353.67 g/mol
Exact Mass351.94
IUPAC NameN-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
SMILESCc1ccc(Br)cc1Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C14H10BrClN2S/c1-8-2-3-9(15)6-12(8)18-14-17-11-5-4-10(16)7-13(11)19-14/h2-7H,1H3,(H,17,18)
InChIKeyKLPKZABWAKVDMI-UHFFFAOYSA-N
XLogP5.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.67
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566
4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzoic acid
CID 63527636
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine (CID 53414874) is N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine is Cc1ccc(Br)cc1Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine?
The InChIKey is KLPKZABWAKVDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2S/c1-8-2-3-9(15)6-12(8)18-14-17-11-5-4-10(16)7-13(11)19-14/h2-7H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine?
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine has a molecular weight of 353.67 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 53414874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).