1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

C10H9N3OS — CID 116613745

IUPAC1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1cccnc1C(=O)Cc1nccs1
InChIInChI=1S/C10H9N3OS/c11-7-2-1-3-13-10(7)8(14)6-9-12-4-5-15-9/h1-5H,6,11H2
InChIKeyJVQUDCPWTQAZGW-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.55
Rot. Bonds3

About 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116613745) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116613745
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESNc1cccnc1C(=O)Cc1nccs1
InChIInChI=1S/C10H9N3OS/c11-7-2-1-3-13-10(7)8(14)6-9-12-4-5-15-9/h1-5H,6,11H2
InChIKeyJVQUDCPWTQAZGW-UHFFFAOYSA-N
XLogP1.55
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(3-amino-2-pyridinyl)ethanone
CID 116613939
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
CID 116613833
1-(3-amino-2-pyridinyl)-4-methylsulfonylbutan-1-one
CID 116613725
ethyl 3-aminopyridine-2-carboxylate
CID 565054
1-(3-amino-2-pyridinyl)pent-4-yn-1-one
CID 116613875
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;pyridine;dihydrobromide
CID 173067344
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (CID 116613745) is 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is Nc1cccnc1C(=O)Cc1nccs1.
What is the InChIKey of 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is JVQUDCPWTQAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-7-2-1-3-13-10(7)8(14)6-9-12-4-5-15-9/h1-5H,6,11H2.
What are the key properties of 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 219.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116613745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).