N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine

C14H10Cl2N2S2 — CID 43969068

IUPACN-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
SMILESCSc1ccc2nc(Nc3cc(Cl)cc(Cl)c3)sc2c1
InChIInChI=1S/C14H10Cl2N2S2/c1-19-11-2-3-12-13(7-11)20-14(18-12)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H,17,18)
InChIKeyZZPAITHKIPUWSG-UHFFFAOYSA-N
MW341.29 g/mol
LogP6.07
Rot. Bonds3

About N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine

N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine (PubChem CID 43969068) has the molecular formula C14H10Cl2N2S2 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
PubChem CID43969068
Molecular FormulaC14H10Cl2N2S2
Molecular Weight341.29 g/mol
Exact Mass339.97
IUPAC NameN-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
SMILESCSc1ccc2nc(Nc3cc(Cl)cc(Cl)c3)sc2c1
InChIInChI=1S/C14H10Cl2N2S2/c1-19-11-2-3-12-13(7-11)20-14(18-12)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H,17,18)
InChIKeyZZPAITHKIPUWSG-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.29
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 7489935
6-bromo-N-(3,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79532935
6-methylsulfanyl-N-(4-nitrophenyl)-1,3-benzothiazol-2-amine
CID 7489954
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 16814104
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine (CID 43969068) is N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine is CSc1ccc2nc(Nc3cc(Cl)cc(Cl)c3)sc2c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
The InChIKey is ZZPAITHKIPUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S2/c1-19-11-2-3-12-13(7-11)20-14(18-12)17-10-5-8(15)4-9(16)6-10/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine?
N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine has a molecular weight of 341.29 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43969068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).