2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H12Cl2N2S — CID 64975981

IUPAC2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(-c3cc(Cl)cc(Cl)c3)nc21
InChIInChI=1S/C13H12Cl2N2S/c14-8-4-7(5-9(15)6-8)13-17-12-10(16)2-1-3-11(12)18-13/h4-6,10H,1-3,16H2
InChIKeyZOOKBJOJBFRYEG-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.45
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975981) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975981
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(-c3cc(Cl)cc(Cl)c3)nc21
InChIInChI=1S/C13H12Cl2N2S/c14-8-4-7(5-9(15)6-8)13-17-12-10(16)2-1-3-11(12)18-13/h4-6,10H,1-3,16H2
InChIKeyZOOKBJOJBFRYEG-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975981) is 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(-c3cc(Cl)cc(Cl)c3)nc21.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ZOOKBJOJBFRYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c14-8-4-7(5-9(15)6-8)13-17-12-10(16)2-1-3-11(12)18-13/h4-6,10H,1-3,16H2.
What are the key properties of 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 299.23 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).