1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C12H18N2O3S2 — CID 156609345

IUPAC1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCCOC1CN(C(=O)CSc2nc(C)cs2)CC1O
InChIInChI=1S/C12H18N2O3S2/c1-3-17-10-5-14(4-9(10)15)11(16)7-19-12-13-8(2)6-18-12/h6,9-10,15H,3-5,7H2,1-2H3
InChIKeyZDXBQECSXNZRKU-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.15
Rot. Bonds5

About 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 156609345) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID156609345
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCCOC1CN(C(=O)CSc2nc(C)cs2)CC1O
InChIInChI=1S/C12H18N2O3S2/c1-3-17-10-5-14(4-9(10)15)11(16)7-19-12-13-8(2)6-18-12/h6,9-10,15H,3-5,7H2,1-2H3
InChIKeyZDXBQECSXNZRKU-UHFFFAOYSA-N
XLogP1.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4235369
2-(4-chlorophenyl)sulfanyl-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]ethanone
CID 133266693
1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 72875544
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
1-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)sulfanylethanone
CID 91791718
3-[4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 77080732
1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 118793945
1-(2-methylpropyl)-4-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
CID 45159397
1-(azepan-1-yl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 4005954
1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 3437222
N-[(3R,4S)-3-hydroxy-4-methyl-9-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 135116356

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 156609345) is 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is CCOC1CN(C(=O)CSc2nc(C)cs2)CC1O.
What is the InChIKey of 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is ZDXBQECSXNZRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-3-17-10-5-14(4-9(10)15)11(16)7-19-12-13-8(2)6-18-12/h6,9-10,15H,3-5,7H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 156609345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).