1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine

C15H22N2S — CID 43314724

IUPAC1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1nc2ccccc2s1
InChIInChI=1S/C15H22N2S/c1-4-11(3)10-13(16-5-2)15-17-12-8-6-7-9-14(12)18-15/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyFJLWQWXNESDDDR-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.38
Rot. Bonds6

About 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine

1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 43314724) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
PubChem CID43314724
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1nc2ccccc2s1
InChIInChI=1S/C15H22N2S/c1-4-11(3)10-13(16-5-2)15-17-12-8-6-7-9-14(12)18-15/h6-9,11,13,16H,4-5,10H2,1-3H3
InChIKeyFJLWQWXNESDDDR-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43314741
1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43314747
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104770852
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 43314737
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-methylheptan-3-amine
CID 43094200
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 43314691
N-ethyl-3-methyl-1-naphthalen-1-ylpentan-1-amine
CID 63416227
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-ethylhexan-1-amine
CID 43078478
3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine (CID 43314724) is 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine is CCNC(CC(C)CC)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is FJLWQWXNESDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-11(3)10-13(16-5-2)15-17-12-8-6-7-9-14(12)18-15/h6-9,11,13,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine?
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 4.38, 6 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)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 43314724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).