1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine

C16H17N3S — CID 43314737

IUPAC1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-2-18-14(10-12-6-5-9-17-11-12)16-19-13-7-3-4-8-15(13)20-16/h3-9,11,14,18H,2,10H2,1H3
InChIKeyIXBNPDVSINRBQS-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.58
Rot. Bonds5

About 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine

1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine (PubChem CID 43314737) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
PubChem CID43314737
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
SMILESCCNC(Cc1cccnc1)c1nc2ccccc2s1
InChIInChI=1S/C16H17N3S/c1-2-18-14(10-12-6-5-9-17-11-12)16-19-13-7-3-4-8-15(13)20-16/h3-9,11,14,18H,2,10H2,1H3
InChIKeyIXBNPDVSINRBQS-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43314747
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43314741
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-3-methylpentan-1-amine
CID 43314724
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
1-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 43314691
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105179874
1-(5-chlorofuran-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 106693011
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine (CID 43314737) is 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine is CCNC(Cc1cccnc1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine?
The InChIKey is IXBNPDVSINRBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-18-14(10-12-6-5-9-17-11-12)16-19-13-7-3-4-8-15(13)20-16/h3-9,11,14,18H,2,10H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine?
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 43314737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).