2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one

C18H24N4OS — CID 110131702

IUPAC2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ncc(-c2nccnc2CC2CCN(C(=O)C(C)(C)C)C2)s1
InChIInChI=1S/C18H24N4OS/c1-12-21-10-15(24-12)16-14(19-6-7-20-16)9-13-5-8-22(11-13)17(23)18(2,3)4/h6-7,10,13H,5,8-9,11H2,1-4H3
InChIKeyRWNCMUOJHDJBJO-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.35
Rot. Bonds3

About 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110131702) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110131702
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ncc(-c2nccnc2CC2CCN(C(=O)C(C)(C)C)C2)s1
InChIInChI=1S/C18H24N4OS/c1-12-21-10-15(24-12)16-14(19-6-7-20-16)9-13-5-8-22(11-13)17(23)18(2,3)4/h6-7,10,13H,5,8-9,11H2,1-4H3
InChIKeyRWNCMUOJHDJBJO-UHFFFAOYSA-N
XLogP3.35
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
2,2-dimethyl-1-[3-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 110101653
1-[(3R)-3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125013630
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485
1-[(3R)-3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961794
1-[(3S)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943301
1-[(3R)-3-[[3-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 124943302
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110131717
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
2,2-dimethyl-1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124972146

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 110131702) is 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one is Cc1ncc(-c2nccnc2CC2CCN(C(=O)C(C)(C)C)C2)s1.
What is the InChIKey of 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is RWNCMUOJHDJBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-21-10-15(24-12)16-14(19-6-7-20-16)9-13-5-8-22(11-13)17(23)18(2,3)4/h6-7,10,13H,5,8-9,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-[[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110131702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).