1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine

C18H20N2S — CID 105016121

IUPAC1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C18H20N2S/c1-2-14(13-8-4-3-5-9-13)15(19)12-18-20-16-10-6-7-11-17(16)21-18/h3-11,14-15H,2,12,19H2,1H3
InChIKeySLGXAXZHMCMMAE-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.36
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine

1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine (PubChem CID 105016121) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
PubChem CID105016121
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C18H20N2S/c1-2-14(13-8-4-3-5-9-13)15(19)12-18-20-16-10-6-7-11-17(16)21-18/h3-11,14-15H,2,12,19H2,1H3
InChIKeySLGXAXZHMCMMAE-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(1,3-benzothiazol-2-yl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114222019
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylbutan-2-amine
CID 104520110
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
3-(1,3-benzothiazol-2-yl)-2-phenylpropan-1-ol
CID 104632377

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine (CID 105016121) is 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine is CCC(c1ccccc1)C(N)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine?
The InChIKey is SLGXAXZHMCMMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-14(13-8-4-3-5-9-13)15(19)12-18-20-16-10-6-7-11-17(16)21-18/h3-11,14-15H,2,12,19H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine?
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine has a molecular weight of 296.44 g/mol, XLogP of 4.36, 5 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-phenylpentan-2-amine is sourced from PubChem (CID 105016121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).