(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C17H27N3O2S — CID 96997048

IUPAC(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2C[C@H](CC)[C@@H](N3CCOCC3)C2)s1
InChIInChI=1S/C17H27N3O2S/c1-4-13-10-20(11-14(13)19-6-8-22-9-7-19)17(21)16-12(3)18-15(5-2)23-16/h13-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyAYKSXXUJGPKGOH-KBPBESRZSA-N
MW337.49 g/mol
LogP2.20
Rot. Bonds4

About (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 96997048) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID96997048
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2C[C@H](CC)[C@@H](N3CCOCC3)C2)s1
InChIInChI=1S/C17H27N3O2S/c1-4-13-10-20(11-14(13)19-6-8-22-9-7-19)17(21)16-12(3)18-15(5-2)23-16/h13-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyAYKSXXUJGPKGOH-KBPBESRZSA-N
XLogP2.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 96996371
(3-cyclopropylthiophen-2-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026553
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026569
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996283
(4-ethyl-2-methylpyrimidin-5-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96996311
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 71871958
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 97026691
(2-cyclopropylpyrimidin-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026721
[4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110387437

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 96997048) is (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2C[C@H](CC)[C@@H](N3CCOCC3)C2)s1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is AYKSXXUJGPKGOH-KBPBESRZSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-13-10-20(11-14(13)19-6-8-22-9-7-19)17(21)16-12(3)18-15(5-2)23-16/h13-14H,4-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 337.49 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 96997048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).