2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H14BrClN2S — CID 66159303

IUPAC2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3cc(Cl)ccc3Br)sc21
InChIInChI=1S/C14H14BrClN2S/c1-17-11-3-2-4-12-13(11)19-14(18-12)9-7-8(16)5-6-10(9)15/h5-7,11,17H,2-4H2,1H3
InChIKeyIIFPDPYTNWLVIB-UHFFFAOYSA-N
MW357.70 g/mol
LogP4.82
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 66159303) has the molecular formula C14H14BrClN2S and a molecular weight of 357.70 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID66159303
Molecular FormulaC14H14BrClN2S
Molecular Weight357.70 g/mol
Exact Mass355.97
IUPAC Name2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3cc(Cl)ccc3Br)sc21
InChIInChI=1S/C14H14BrClN2S/c1-17-11-3-2-4-12-13(11)19-14(18-12)9-7-8(16)5-6-10(9)15/h5-7,11,17H,2-4H2,1H3
InChIKeyIIFPDPYTNWLVIB-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 66159303) is 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(-c3cc(Cl)ccc3Br)sc21.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is IIFPDPYTNWLVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2S/c1-17-11-3-2-4-12-13(11)19-14(18-12)9-7-8(16)5-6-10(9)15/h5-7,11,17H,2-4H2,1H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 357.70 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 66159303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).