2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine

C16H20N2S — CID 115419349

IUPAC2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESCC1Cc2sc(C(N)C(C)C)nc2-c2ccccc21
InChIInChI=1S/C16H20N2S/c1-9(2)14(17)16-18-15-12-7-5-4-6-11(12)10(3)8-13(15)19-16/h4-7,9-10,14H,8,17H2,1-3H3
InChIKeyMHRYHLVZZSOGNM-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.13
Rot. Bonds2

About 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine

2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine (PubChem CID 115419349) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
PubChem CID115419349
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESCC1Cc2sc(C(N)C(C)C)nc2-c2ccccc21
InChIInChI=1S/C16H20N2S/c1-9(2)14(17)16-18-15-12-7-5-4-6-11(12)10(3)8-13(15)19-16/h4-7,9-10,14H,8,17H2,1-3H3
InChIKeyMHRYHLVZZSOGNM-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-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

2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 115419355
2-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanoic acid
CID 112741818
2-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)aniline
CID 115419375
2-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butan-2-amine
CID 115419351
5-methyl-2-piperidin-3-yl-4,5-dihydrobenzo[e][1,3]benzothiazole
CID 115419359
5-methyl-2-(piperazin-1-ylmethyl)-4,5-dihydrobenzo[e][1,3]benzothiazole
CID 115419371
1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine
CID 61336636
1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine;dihydrochloride
CID 155822270
3-chloro-6-methyl-5,6-dihydrobenzo[h]cinnoline
CID 115419533
2,4-dichloro-6-methyl-5,6-dihydrobenzo[h]quinazoline
CID 115420771
6-methyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinazoline
CID 102255496
1-(4H-indeno[1,2-d][1,3]thiazol-2-yl)butan-1-amine
CID 61337625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine (CID 115419349) is 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine is CC1Cc2sc(C(N)C(C)C)nc2-c2ccccc21.
What is the InChIKey of 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The InChIKey is MHRYHLVZZSOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-9(2)14(17)16-18-15-12-7-5-4-6-11(12)10(3)8-13(15)19-16/h4-7,9-10,14H,8,17H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115419349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).