2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole

C9H16N2OS — CID 142277547

IUPAC2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCO[C@@H]1CCN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyIIHLUWMUWCEAGT-MRVPVSSYSA-N
MW200.31 g/mol
LogP1.20
Rot. Bonds2

About 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole

2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 142277547) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID142277547
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCO[C@@H]1CCN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyIIHLUWMUWCEAGT-MRVPVSSYSA-N
XLogP1.20
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-ethoxypyrrolidine
CID 139709494
5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875
3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360651
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138
[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753514
[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117381
4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957566
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673
3-(3-ethoxypiperidin-1-yl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 54989850
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole (CID 142277547) is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole is CCO[C@@H]1CCN(C2=NCCS2)C1.
What is the InChIKey of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is IIHLUWMUWCEAGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole?
2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 200.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 142277547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).