N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine

C17H18N4O2S — CID 163268876

IUPACN,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(OCC)cn3)cs2)nc1
InChIInChI=1S/C17H18N4O2S/c1-3-22-12-5-7-14(18-9-12)15-11-24-17(20-15)21-16-8-6-13(10-19-16)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyVKFBGLVTGRKURP-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.14
Rot. Bonds7

About N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine

N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 163268876) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID163268876
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(OCC)cn3)cs2)nc1
InChIInChI=1S/C17H18N4O2S/c1-3-22-12-5-7-14(18-9-12)15-11-24-17(20-15)21-16-8-6-13(10-19-16)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyVKFBGLVTGRKURP-UHFFFAOYSA-N
XLogP4.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 163268876) is N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine is CCOc1ccc(Nc2nc(-c3ccc(OCC)cn3)cs2)nc1.
What is the InChIKey of N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is VKFBGLVTGRKURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-22-12-5-7-14(18-9-12)15-11-24-17(20-15)21-16-8-6-13(10-19-16)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine?
N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 342.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163268876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).