4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine

C13H8Cl2N2S — CID 82549581

IUPAC4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine
SMILESClc1cc(Cl)c2nc(Nc3ccccc3)sc2c1
InChIInChI=1S/C13H8Cl2N2S/c14-8-6-10(15)12-11(7-8)18-13(17-12)16-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChIKeyWJYHUZQLAIJUFW-UHFFFAOYSA-N
MW295.19 g/mol
LogP5.35
Rot. Bonds2

About 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine

4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine (PubChem CID 82549581) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine
PubChem CID82549581
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine
SMILESClc1cc(Cl)c2nc(Nc3ccccc3)sc2c1
InChIInChI=1S/C13H8Cl2N2S/c14-8-6-10(15)12-11(7-8)18-13(17-12)16-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChIKeyWJYHUZQLAIJUFW-UHFFFAOYSA-N
XLogP5.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.19
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6-trifluoro-N-phenyl-1,3-benzothiazol-2-amine
CID 82549676
2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
CID 43989361
N-(2-anilino-1,3-benzothiazol-4-yl)-4,6-dichloro-1H-indole-2-carboxamide
CID 24760169
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 40885043
2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 17244612
N-(2-anilino-1,3-benzothiazol-4-yl)-4-chloro-2-iodo-6-methylbenzamide
CID 89226752
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43989321
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652
1-(4-chloro-1,3-benzothiazol-2-yl)-3-phenylthiourea
CID 3690824

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine (CID 82549581) is 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine is Clc1cc(Cl)c2nc(Nc3ccccc3)sc2c1.
What is the InChIKey of 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is WJYHUZQLAIJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c14-8-6-10(15)12-11(7-8)18-13(17-12)16-9-4-2-1-3-5-9/h1-7H,(H,16,17).
What are the key properties of 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine?
4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 295.19 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).