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

C17H22N2S — CID 115419355

IUPAC2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESCC1Cc2sc(C(N)C(C)(C)C)nc2-c2ccccc21
InChIInChI=1S/C17H22N2S/c1-10-9-13-14(12-8-6-5-7-11(10)12)19-16(20-13)15(18)17(2,3)4/h5-8,10,15H,9,18H2,1-4H3
InChIKeyBBYZPYYHNOJOID-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.52
Rot. Bonds1

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

2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine (PubChem CID 115419355) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
PubChem CID115419355
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
SMILESCC1Cc2sc(C(N)C(C)(C)C)nc2-c2ccccc21
InChIInChI=1S/C17H22N2S/c1-10-9-13-14(12-8-6-5-7-11(10)12)19-16(20-13)15(18)17(2,3)4/h5-8,10,15H,9,18H2,1-4H3
InChIKeyBBYZPYYHNOJOID-UHFFFAOYSA-N
XLogP4.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 115419349
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)propanoic acid
CID 112741818
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 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine (CID 115419355) is 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine is CC1Cc2sc(C(N)C(C)(C)C)nc2-c2ccccc21.
What is the InChIKey of 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
The InChIKey is BBYZPYYHNOJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-10-9-13-14(12-8-6-5-7-11(10)12)19-16(20-13)15(18)17(2,3)4/h5-8,10,15H,9,18H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine?
2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115419355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).