2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C16H22N4OS — CID 95735674

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C16H22N4OS/c1-10-16(11(2)19(4)18-10)14-6-5-7-20(14)15(21)8-13-9-22-12(3)17-13/h9,14H,5-8H2,1-4H3/t14-/m0/s1
InChIKeyUACHVWOIGYKSRX-AWEZNQCLSA-N
MW318.45 g/mol
LogP2.71
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95735674) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID95735674
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cs1
InChIInChI=1S/C16H22N4OS/c1-10-16(11(2)19(4)18-10)14-6-5-7-20(14)15(21)8-13-9-22-12(3)17-13/h9,14H,5-8H2,1-4H3/t14-/m0/s1
InChIKeyUACHVWOIGYKSRX-AWEZNQCLSA-N
XLogP2.71
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 87007135
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
2-(4-aminophenyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119881275
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71928900
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978384
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119881311
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56779603
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95845730
3-thiophen-3-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95978340
N-cyclopropyl-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 47164618
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 95735674) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is UACHVWOIGYKSRX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-16(11(2)19(4)18-10)14-6-5-7-20(14)15(21)8-13-9-22-12(3)17-13/h9,14H,5-8H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 318.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95735674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).