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

C14H20N2S — CID 79818955

IUPAC5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1nc2ccccc2s1
InChIInChI=1S/C14H20N2S/c1-3-15-11(2)7-6-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3
InChIKeyUHKCEFWXMPBOEE-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.62
Rot. Bonds6

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

5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine (PubChem CID 79818955) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine
PubChem CID79818955
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1nc2ccccc2s1
InChIInChI=1S/C14H20N2S/c1-3-15-11(2)7-6-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3
InChIKeyUHKCEFWXMPBOEE-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-benzothiazol-2-yl)-2-methylhexan-3-amine
CID 79818307
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
2-(4,4-dimethylpentyl)-1,3-benzothiazole
CID 129255452
1-(1,3-benzothiazol-2-yl)-4-methylpentan-3-ol
CID 104631696
2-(4-bromo-3-methylbutyl)-1,3-benzothiazole
CID 79818549
1-[3-(1,3-benzothiazol-2-yl)propyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999031
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
2-(4-chlorobutyl)-1,3-benzothiazole
CID 28972434
2-(4-iodobutyl)-1,3-benzothiazole
CID 148618103
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-methylheptan-3-amine
CID 43094200
perchloric acid;2-propyl-1,3-benzothiazole
CID 158890819
5-(1,3-benzothiazol-2-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pentanamide
CID 9470642

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine (CID 79818955) is 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine is CCNC(C)CCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine?
The InChIKey is UHKCEFWXMPBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-15-11(2)7-6-10-14-16-12-8-4-5-9-13(12)17-14/h4-5,8-9,11,15H,3,6-7,10H2,1-2H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine?
5-(1,3-benzothiazol-2-yl)-N-ethylpentan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.62, 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-ethylpentan-2-amine is sourced from PubChem (CID 79818955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).