6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine

C14H13N3S — CID 132581598

IUPAC6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C14H13N3S/c1-2-10-6-7-11-12(9-10)18-14(16-11)17-13-5-3-4-8-15-13/h3-9H,2H2,1H3,(H,15,16,17)
InChIKeyGDSDLQTXIWQOSN-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.00
Rot. Bonds3

About 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine

6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine (PubChem CID 132581598) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
PubChem CID132581598
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C14H13N3S/c1-2-10-6-7-11-12(9-10)18-14(16-11)17-13-5-3-4-8-15-13/h3-9H,2H2,1H3,(H,15,16,17)
InChIKeyGDSDLQTXIWQOSN-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117092605
6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
CID 108778366
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108778357
6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 162380533
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117093091
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(6-ethyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine
CID 108777584
2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
6-ethyl-N-(pyridazin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380372
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine (CID 132581598) is 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine is CCc1ccc2nc(Nc3ccccn3)sc2c1.
What is the InChIKey of 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is GDSDLQTXIWQOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-10-6-7-11-12(9-10)18-14(16-11)17-13-5-3-4-8-15-13/h3-9H,2H2,1H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 255.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 132581598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).