5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine

C14H21N3S — CID 145133826

IUPAC5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine
SMILESC=CN.NCCCCCc1nc2ccccc2s1
InChIInChI=1S/C12H16N2S.C2H5N/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12;1-2-3/h3-4,6-7H,1-2,5,8-9,13H2;2H,1,3H2
InChIKeySYBWEFLNIQTUIJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.06
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine

5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine (PubChem CID 145133826) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine
PubChem CID145133826
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine
SMILESC=CN.NCCCCCc1nc2ccccc2s1
InChIInChI=1S/C12H16N2S.C2H5N/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12;1-2-3/h3-4,6-7H,1-2,5,8-9,13H2;2H,1,3H2
InChIKeySYBWEFLNIQTUIJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
6-(1,3-benzothiazol-2-yl)hex-4-yn-1-amine
CID 106220140
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
6-(1,3-benzothiazol-2-yl)-2-methylhexan-3-amine
CID 79818307
4-amino-N-(1,3-benzothiazol-2-ylmethyl)butanamide
CID 61248575
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine (CID 145133826) is 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine is C=CN.NCCCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine?
The InChIKey is SYBWEFLNIQTUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S.C2H5N/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12;1-2-3/h3-4,6-7H,1-2,5,8-9,13H2;2H,1,3H2.
What are the key properties of 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine?
5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine has a molecular weight of 263.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)pentan-1-amine;ethenamine is sourced from PubChem (CID 145133826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).