1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C15H18N4OS — CID 125026523

IUPAC1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1cncc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C15H18N4OS/c1-10-7-16-8-13(17-10)14-4-3-5-19(14)15(20)6-12-9-21-11(2)18-12/h7-9,14H,3-6H2,1-2H3/t14-/m1/s1
InChIKeyZUGYALWEXBGYOW-CQSZACIVSA-N
MW302.40 g/mol
LogP2.46
Rot. Bonds3

About 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 125026523) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID125026523
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1cncc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1
InChIInChI=1S/C15H18N4OS/c1-10-7-16-8-13(17-10)14-4-3-5-19(14)15(20)6-12-9-21-11(2)18-12/h7-9,14H,3-6H2,1-2H3/t14-/m1/s1
InChIKeyZUGYALWEXBGYOW-CQSZACIVSA-N
XLogP2.46
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 125026523) is 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1cncc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1.
What is the InChIKey of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ZUGYALWEXBGYOW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-7-16-8-13(17-10)14-4-3-5-19(14)15(20)6-12-9-21-11(2)18-12/h7-9,14H,3-6H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 125026523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).