2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C16H25N3OS — CID 95331190

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cs1
InChIInChI=1S/C16H25N3OS/c1-3-15-17-12(11-21-15)10-16(20)19-9-5-7-14(19)13-6-4-8-18(13)2/h11,13-14H,3-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyGHBAXJXQSVGISA-ZIAGYGMSSA-N
MW307.46 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95331190) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95331190
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCc1nc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cs1
InChIInChI=1S/C16H25N3OS/c1-3-15-17-12(11-21-15)10-16(20)19-9-5-7-14(19)13-6-4-8-18(13)2/h11,13-14H,3-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyGHBAXJXQSVGISA-ZIAGYGMSSA-N
XLogP2.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94640469
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 96997076
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 96997075
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
3-[1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanoic acid
CID 75472515
2-(2-ethyl-1,3-thiazol-4-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779107
1-(2,3-dimethylpiperazin-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 120572802
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86866464
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
CID 86832223
(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
CID 97348515

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95331190) is 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CCc1nc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is GHBAXJXQSVGISA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-15-17-12(11-21-15)10-16(20)19-9-5-7-14(19)13-6-4-8-18(13)2/h11,13-14H,3-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 307.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95331190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).