1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine

C17H17ClN2S — CID 43314747

IUPAC1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C17H17ClN2S/c1-2-19-15(11-12-7-3-4-8-13(12)18)17-20-14-9-5-6-10-16(14)21-17/h3-10,15,19H,2,11H2,1H3
InChIKeyMPFGRTTYFWHLRO-UHFFFAOYSA-N
MW316.86 g/mol
LogP4.84
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine

1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine (PubChem CID 43314747) has the molecular formula C17H17ClN2S and a molecular weight of 316.86 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
PubChem CID43314747
Molecular FormulaC17H17ClN2S
Molecular Weight316.86 g/mol
Exact Mass316.08
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C17H17ClN2S/c1-2-19-15(11-12-7-3-4-8-13(12)18)17-20-14-9-5-6-10-16(14)21-17/h3-10,15,19H,2,11H2,1H3
InChIKeyMPFGRTTYFWHLRO-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine 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

1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43314741
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 43314737
1-(1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 43314686
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104770852
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
CID 43314724
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80641097
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)propan-2-amine
CID 79818773
1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 43314691
2-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103402602
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-benzothiazole
CID 104632464

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine (CID 43314747) is 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The InChIKey is MPFGRTTYFWHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S/c1-2-19-15(11-12-7-3-4-8-13(12)18)17-20-14-9-5-6-10-16(14)21-17/h3-10,15,19H,2,11H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine has a molecular weight of 316.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 43314747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).