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

C9H14N2OS — CID 89133920

IUPAC2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole
SMILESCCO[C@@H]1CCN(c2nccs2)C1
InChIInChI=1S/C9H14N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h4,6,8H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyFYUSGHPDFJUFTD-MRVPVSSYSA-N
MW198.29 g/mol
LogP1.76
Rot. Bonds3

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

2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole (PubChem CID 89133920) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole
PubChem CID89133920
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole
SMILESCCO[C@@H]1CCN(c2nccs2)C1
InChIInChI=1S/C9H14N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h4,6,8H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyFYUSGHPDFJUFTD-MRVPVSSYSA-N
XLogP1.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine
CID 73994620
2-(Pyrrolidin-1-yl)thiazole
CID 2513533
6-(Pyrrolidin-1-ylmethyl)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-6-ol
CID 70779682
(S)-1-(thiazol-2-yl)pyrrolidin-3-ol
CID 53797653
4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 126856192
1-[(3R,4S)-4-fluorooxolan-3-yl]-4-(1,3-thiazol-2-yl)piperazine
CID 126856291
N-(4-fluorooxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 126857875
2-[(1,1-Dimethylpyrrolidin-1-ium-3-yl)oxymethyl]-1,3-thiazole
CID 137630848
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 2088725
1-(Thiazol-2-yl)pyrrolidin-3-ol
CID 22436439

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole (CID 89133920) is 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole is CCO[C@@H]1CCN(c2nccs2)C1.
What is the InChIKey of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is FYUSGHPDFJUFTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-12-8-3-5-11(7-8)9-10-4-6-13-9/h4,6,8H,2-3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole?
2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.76, 3 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]-1,3-thiazole is sourced from PubChem (CID 89133920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).