2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

C16H17ClN2OS — CID 62985465

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC(c1ccccc1Cl)N(C)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C16H17ClN2OS/c1-10(11-6-3-4-7-12(11)17)19(2)16-18-13-8-5-9-14(20)15(13)21-16/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyMXMAGNIOPFFIDN-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.51
Rot. Bonds3

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 62985465) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID62985465
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC(c1ccccc1Cl)N(C)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C16H17ClN2OS/c1-10(11-6-3-4-7-12(11)17)19(2)16-18-13-8-5-9-14(20)15(13)21-16/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyMXMAGNIOPFFIDN-UHFFFAOYSA-N
XLogP4.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 62985465) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is CC(c1ccccc1Cl)N(C)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is MXMAGNIOPFFIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10(11-6-3-4-7-12(11)17)19(2)16-18-13-8-5-9-14(20)15(13)21-16/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 320.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 62985465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).