6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine

C14H14N4S — CID 122184470

IUPAC6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCCNc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C14H14N4S/c1-2-16-13-6-4-10(8-17-13)9-3-5-11-12(7-9)19-14(15)18-11/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyIPLZEFLYSZCVED-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.37
Rot. Bonds3

About 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine

6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 122184470) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID122184470
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCCNc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C14H14N4S/c1-2-16-13-6-4-10(8-17-13)9-3-5-11-12(7-9)19-14(15)18-11/h3-8H,2H2,1H3,(H2,15,18)(H,16,17)
InChIKeyIPLZEFLYSZCVED-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 122184470) is 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine is CCNc1ccc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is IPLZEFLYSZCVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-16-13-6-4-10(8-17-13)9-3-5-11-12(7-9)19-14(15)18-11/h3-8H,2H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine?
6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(ethylamino)-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).