4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

C11H13N3O2S — CID 106382213

IUPAC4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOc1cccnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-16-9-4-3-5-12-10(9)13-6-8-7-17-11(15)14-8/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZAUPBYUFZMYMST-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.84
Rot. Bonds5

About 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382213) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382213
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOc1cccnc1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-16-9-4-3-5-12-10(9)13-6-8-7-17-11(15)14-8/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyZAUPBYUFZMYMST-UHFFFAOYSA-N
XLogP1.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
CID 106382203
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106383311
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 106383409
4-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384083
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[(3-ethoxy-4-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 106381995
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382308
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382210
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382213) is 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is CCOc1cccnc1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZAUPBYUFZMYMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-16-9-4-3-5-12-10(9)13-6-8-7-17-11(15)14-8/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 251.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).