1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine

C18H22N2S — CID 61337290

IUPAC1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine
SMILESCC1(C)Cc2sc(C3(N)CCCC3)nc2-c2ccccc21
InChIInChI=1S/C18H22N2S/c1-17(2)11-14-15(12-7-3-4-8-13(12)17)20-16(21-14)18(19)9-5-6-10-18/h3-4,7-8H,5-6,9-11,19H2,1-2H3
InChIKeyLMRLGVSPJPPVLC-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.37
Rot. Bonds1

About 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine

1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine (PubChem CID 61337290) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine
PubChem CID61337290
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine
SMILESCC1(C)Cc2sc(C3(N)CCCC3)nc2-c2ccccc21
InChIInChI=1S/C18H22N2S/c1-17(2)11-14-15(12-7-3-4-8-13(12)17)20-16(21-14)18(19)9-5-6-10-18/h3-4,7-8H,5-6,9-11,19H2,1-2H3
InChIKeyLMRLGVSPJPPVLC-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate
CID 29016564
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 115994516
methyl 2-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)acetate
CID 61333975
1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335106
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
CID 62942885
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
CID 61333068
1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 114872035
1-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61338658
1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61338247
2-amino-5,5-dimethyl-4H-benzo[e][1]benzothiole-1-carbonitrile
CID 29016369
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558260
1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexan-1-amine
CID 106678405

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine (CID 61337290) is 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine is CC1(C)Cc2sc(C3(N)CCCC3)nc2-c2ccccc21.
What is the InChIKey of 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine?
The InChIKey is LMRLGVSPJPPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-17(2)11-14-15(12-7-3-4-8-13(12)17)20-16(21-14)18(19)9-5-6-10-18/h3-4,7-8H,5-6,9-11,19H2,1-2H3.
What are the key properties of 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine?
1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4H-benzo[e][1,3]benzothiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 61337290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).