2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine

C15H13ClN2S — CID 43185912

IUPAC2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
SMILESNC(Cc1nc2cc(Cl)ccc2s1)c1ccccc1
InChIInChI=1S/C15H13ClN2S/c16-11-6-7-14-13(8-11)18-15(19-14)9-12(17)10-4-2-1-3-5-10/h1-8,12H,9,17H2
InChIKeySJPYRPYVFUEWDO-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.19
Rot. Bonds3

About 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine

2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine (PubChem CID 43185912) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
PubChem CID43185912
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine
SMILESNC(Cc1nc2cc(Cl)ccc2s1)c1ccccc1
InChIInChI=1S/C15H13ClN2S/c16-11-6-7-14-13(8-11)18-15(19-14)9-12(17)10-4-2-1-3-5-10/h1-8,12H,9,17H2
InChIKeySJPYRPYVFUEWDO-UHFFFAOYSA-N
XLogP4.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)ethanamine
CID 43118698
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-fluorophenyl)ethanamine
CID 82809666
3-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)propan-1-amine
CID 104631916
2-[2-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzothiazole
CID 66459136
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
2-(1,3-benzothiazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 79754913
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 60837389
1-(1,3-benzothiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169677
3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propanoic acid
CID 18427339
3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
CID 104632377
2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-1,3-benzothiazole
CID 82890302
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine?
The IUPAC name of 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine (CID 43185912) is 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine?
The canonical SMILES for 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine is NC(Cc1nc2cc(Cl)ccc2s1)c1ccccc1.
What is the InChIKey of 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine?
The InChIKey is SJPYRPYVFUEWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-11-6-7-14-13(8-11)18-15(19-14)9-12(17)10-4-2-1-3-5-10/h1-8,12H,9,17H2.
What are the key properties of 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine?
2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine has a molecular weight of 288.80 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-benzothiazol-2-yl)-1-phenylethanamine is sourced from PubChem (CID 43185912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).