[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C15H23N3OS — CID 95295711

IUPAC[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1
InChIInChI=1S/C15H23N3OS/c1-3-17-8-4-6-13(17)14-7-5-9-18(14)15(19)12-10-20-11(2)16-12/h10,13-14H,3-9H2,1-2H3/t13-,14-/m0/s1
InChIKeyNFJSSGZFRBMIKB-KBPBESRZSA-N
MW293.44 g/mol
LogP2.54
Rot. Bonds3

About [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 95295711) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID95295711
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1
InChIInChI=1S/C15H23N3OS/c1-3-17-8-4-6-13(17)14-7-5-9-18(14)15(19)12-10-20-11(2)16-12/h10,13-14H,3-9H2,1-2H3/t13-,14-/m0/s1
InChIKeyNFJSSGZFRBMIKB-KBPBESRZSA-N
XLogP2.54
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430279
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199129
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
(2-methyl-1,3-thiazol-4-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 65198464
6-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95736213
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 95295711) is [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1.
What is the InChIKey of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is NFJSSGZFRBMIKB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-17-8-4-6-13(17)14-7-5-9-18(14)15(19)12-10-20-11(2)16-12/h10,13-14H,3-9H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 293.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95295711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).