2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C15H19N5O2S — CID 110270552

IUPAC2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1nccnc1Nc1nc(C)cs1
InChIInChI=1S/C15H19N5O2S/c1-10-9-23-15(18-10)19-14-13(16-5-6-17-14)11-4-3-7-20(11)12(21)8-22-2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHVWRAFCZGWETEE-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.30
Rot. Bonds5

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

2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110270552) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110270552
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC1c1nccnc1Nc1nc(C)cs1
InChIInChI=1S/C15H19N5O2S/c1-10-9-23-15(18-10)19-14-13(16-5-6-17-14)11-4-3-7-20(11)12(21)8-22-2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyHVWRAFCZGWETEE-UHFFFAOYSA-N
XLogP2.30
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110270552) is 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCCC1c1nccnc1Nc1nc(C)cs1.
What is the InChIKey of 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is HVWRAFCZGWETEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-9-23-15(18-10)19-14-13(16-5-6-17-14)11-4-3-7-20(11)12(21)8-22-2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 333.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110270552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).