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

C14H9Cl3N2S — CID 63546234

IUPAC5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1Cl
InChIInChI=1S/C14H9Cl3N2S/c1-7-2-4-9(16)13(12(7)17)19-14-18-10-6-8(15)3-5-11(10)20-14/h2-6H,1H3,(H,18,19)
InChIKeyWHIZSFIAUDLBDJ-UHFFFAOYSA-N
MW343.67 g/mol
LogP6.31
Rot. Bonds2

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

5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 63546234) has the molecular formula C14H9Cl3N2S and a molecular weight of 343.67 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID63546234
Molecular FormulaC14H9Cl3N2S
Molecular Weight343.67 g/mol
Exact Mass341.96
IUPAC Name5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1Cl
InChIInChI=1S/C14H9Cl3N2S/c1-7-2-4-9(16)13(12(7)17)19-14-18-10-6-8(15)3-5-11(10)20-14/h2-6H,1H3,(H,18,19)
InChIKeyWHIZSFIAUDLBDJ-UHFFFAOYSA-N
XLogP6.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzothiazole, 2,2'-(2,6-dichlorobenzylidenediimino)di-
CID 337843
Benzaldehyde, 2,4-dichloro-, 2-benzothiazolylhydrazone
CID 5339871
5-Chloro-4-methyl-1,3-benzothiazol-2-amine
CID 1180481
Benzothiazol-2-yl-[2-(4-chloro-phenyl)-ethyl]-amine
CID 1439038
4-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 2249763
N-[(E)-(4-chlorophenyl)methylidene]-1,3-benzothiazol-2-amine
CID 9616495
7-chloro-N-(2,6-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 65501521
N-(3-ethylphenyl)-1,3-benzothiazol-2-amine
CID 4962098
N-benzyl-6-chloro-1,3-benzothiazol-2-amine
CID 4340133
Benzothiazol-2-yl-(2-chloro-benzylidene)-amine
CID 9579375
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 45272513
5-chloro-6-fluoro-N-[(1S)-1-phenylpropyl]-1,3-benzothiazol-2-amine
CID 57391867

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine (CID 63546234) is 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Cl)c(Nc2nc3cc(Cl)ccc3s2)c1Cl.
What is the InChIKey of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is WHIZSFIAUDLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2S/c1-7-2-4-9(16)13(12(7)17)19-14-18-10-6-8(15)3-5-11(10)20-14/h2-6H,1H3,(H,18,19).
What are the key properties of 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 343.67 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63546234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).