5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine

C14H18N2S — CID 79818317

IUPAC5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine
SMILESCCNCCC=CCc1nc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-2-15-11-7-3-4-10-14-16-12-8-5-6-9-13(12)17-14/h3-6,8-9,15H,2,7,10-11H2,1H3
InChIKeyHCVQUEMOJJJYPJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.39
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine

5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine (PubChem CID 79818317) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine
PubChem CID79818317
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine
SMILESCCNCCC=CCc1nc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-2-15-11-7-3-4-10-14-16-12-8-5-6-9-13(12)17-14/h3-6,8-9,15H,2,7,10-11H2,1H3
InChIKeyHCVQUEMOJJJYPJ-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-yl)but-2-enoic acid
CID 79819074
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
CID 119504813
2-[3-(1,3-benzothiazol-2-yl)prop-1-enyl]-3,4-dipropyl-1,3-benzothiazol-3-ium
CID 90706695
acetic acid;2-[(E)-3-cyclopentylprop-2-enyl]-1,3-benzothiazole
CID 143807230
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887601
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxypropan-1-amine
CID 60672423
perchloric acid;2-propyl-1,3-benzothiazole
CID 158890819
3-(1,3-benzothiazol-2-yl)-2,2-dimethylpropanal
CID 130698450
2-ethyl-1,3-benzothiazole
CID 123878265
N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106718699

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine (CID 79818317) is 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine is CCNCCC=CCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine?
The InChIKey is HCVQUEMOJJJYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-15-11-7-3-4-10-14-16-12-8-5-6-9-13(12)17-14/h3-6,8-9,15H,2,7,10-11H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine?
5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-ethylpent-3-en-1-amine is sourced from PubChem (CID 79818317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).