1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone

C13H15N5OS — CID 110270483

IUPAC1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C13H15N5OS/c1-9(19)18-6-2-3-11(18)10-8-20-13(16-10)17-12-7-14-4-5-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyLMKUFDDHNQDMQO-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone

1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110270483) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110270483
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C13H15N5OS/c1-9(19)18-6-2-3-11(18)10-8-20-13(16-10)17-12-7-14-4-5-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,16,17)
InChIKeyLMKUFDDHNQDMQO-UHFFFAOYSA-N
XLogP2.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone (CID 110270483) is 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1csc(Nc2cnccn2)n1.
What is the InChIKey of 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is LMKUFDDHNQDMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-9(19)18-6-2-3-11(18)10-8-20-13(16-10)17-12-7-14-4-5-15-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,15,16,17).
What are the key properties of 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 289.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110270483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).