N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine

C14H21N3S — CID 114164222

IUPACN'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1nc2ccccc2s1
InChIInChI=1S/C14H21N3S/c1-3-14(4-2,9-15)10-16-13-17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyIUIQIYJZXGCGNN-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.47
Rot. Bonds6

About N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine

N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine (PubChem CID 114164222) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine
PubChem CID114164222
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1nc2ccccc2s1
InChIInChI=1S/C14H21N3S/c1-3-14(4-2,9-15)10-16-13-17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyIUIQIYJZXGCGNN-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149292
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
1-(1,3-benzothiazol-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103837758
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N-tert-butyl-1,3-benzothiazol-2-amine;ethane
CID 157105322
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine (CID 114164222) is N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNc1nc2ccccc2s1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is IUIQIYJZXGCGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-14(4-2,9-15)10-16-13-17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine?
N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 263.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 114164222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).