6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine

C15H16N4S — CID 122184471

IUPAC6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCCN(C)c1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C15H16N4S/c1-3-19(2)14-7-5-11(9-17-14)10-4-6-12-13(8-10)20-15(16)18-12/h4-9H,3H2,1-2H3,(H2,16,18)
InChIKeyYTVZGJPVCLOEMO-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.40
Rot. Bonds3

About 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine

6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 122184471) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID122184471
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCCN(C)c1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C15H16N4S/c1-3-19(2)14-7-5-11(9-17-14)10-4-6-12-13(8-10)20-15(16)18-12/h4-9H,3H2,1-2H3,(H2,16,18)
InChIKeyYTVZGJPVCLOEMO-UHFFFAOYSA-N
XLogP3.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 122184471) is 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine is CCN(C)c1ccc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is YTVZGJPVCLOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-19(2)14-7-5-11(9-17-14)10-4-6-12-13(8-10)20-15(16)18-12/h4-9H,3H2,1-2H3,(H2,16,18).
What are the key properties of 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine?
6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).