1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine

C16H14Cl2N2S — CID 79826359

IUPAC1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2s1
InChIInChI=1S/C16H14Cl2N2S/c17-12-6-5-10(8-13(12)18)7-11(19)9-16-20-14-3-1-2-4-15(14)21-16/h1-6,8,11H,7,9,19H2
InChIKeyOYVTWLPLJPMWIP-UHFFFAOYSA-N
MW337.28 g/mol
LogP4.72
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine

1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine (PubChem CID 79826359) has the molecular formula C16H14Cl2N2S and a molecular weight of 337.28 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine
PubChem CID79826359
Molecular FormulaC16H14Cl2N2S
Molecular Weight337.28 g/mol
Exact Mass336.03
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2s1
InChIInChI=1S/C16H14Cl2N2S/c17-12-6-5-10(8-13(12)18)7-11(19)9-16-20-14-3-1-2-4-15(14)21-16/h1-6,8,11H,7,9,19H2
InChIKeyOYVTWLPLJPMWIP-UHFFFAOYSA-N
XLogP4.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine 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)-3-(3,4-difluorophenyl)propan-2-amine
CID 105016124
1-(1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)propan-2-amine
CID 79818773
1-(1,3-benzothiazol-2-yl)-4-phenylbutan-2-amine
CID 43118679
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(1,3-benzothiazol-2-yl)-3-(2-bromophenyl)propan-2-amine
CID 79819344
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
1-(1,3-benzothiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169677
2-[2-chloro-2-(4-chlorophenyl)ethyl]-1,3-benzothiazole
CID 66459136
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
2-[2-(4-bromo-2-chlorophenyl)-2-chloroethyl]-1,3-benzothiazole
CID 66460949
1-(1,3-benzothiazol-2-yl)-3-propoxypropan-2-amine
CID 79818856
1-(1,3-benzothiazol-2-yl)-4-pyridin-3-ylbutan-2-amine
CID 105169783

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine (CID 79826359) is 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine is NC(Cc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
The InChIKey is OYVTWLPLJPMWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2S/c17-12-6-5-10(8-13(12)18)7-11(19)9-16-20-14-3-1-2-4-15(14)21-16/h1-6,8,11H,7,9,19H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
1-(1,3-benzothiazol-2-yl)-3-(3,4-dichlorophenyl)propan-2-amine has a molecular weight of 337.28 g/mol, XLogP of 4.72, 4 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)-3-(3,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 79826359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).