4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine

C14H13N3OS — CID 79519060

IUPAC4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
SMILESCCOc1ccc2nc(-c3ccnc(N)c3)sc2c1
InChIInChI=1S/C14H13N3OS/c1-2-18-10-3-4-11-12(8-10)19-14(17-11)9-5-6-16-13(15)7-9/h3-8H,2H2,1H3,(H2,15,16)
InChIKeyRVDGTSQWHMLRIH-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.34
Rot. Bonds3

About 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine

4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine (PubChem CID 79519060) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
PubChem CID79519060
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
SMILESCCOc1ccc2nc(-c3ccnc(N)c3)sc2c1
InChIInChI=1S/C14H13N3OS/c1-2-18-10-3-4-11-12(8-10)19-14(17-11)9-5-6-16-13(15)7-9/h3-8H,2H2,1H3,(H2,15,16)
InChIKeyRVDGTSQWHMLRIH-UHFFFAOYSA-N
XLogP3.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylaniline
CID 79511111
2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
CID 82190090
2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
CID 136712634
4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
CID 79518693
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
3-[4-(6-ethoxy-1,3-benzothiazol-2-yl)anilino]propane-1,2-diol
CID 168594942
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
ethane;4-[6-(methoxymethoxy)-1,3-benzothiazol-2-yl]-2-methylaniline
CID 142942990
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine?
The IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine (CID 79519060) is 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine is CCOc1ccc2nc(-c3ccnc(N)c3)sc2c1.
What is the InChIKey of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine?
The InChIKey is RVDGTSQWHMLRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-18-10-3-4-11-12(8-10)19-14(17-11)9-5-6-16-13(15)7-9/h3-8H,2H2,1H3,(H2,15,16).
What are the key properties of 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine?
4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 79519060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).