1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

C10H16N2OS — CID 130642342

IUPAC1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESCCN1CCC(O)(Cc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c1-2-12-5-3-10(13,8-12)7-9-11-4-6-14-9/h4,6,13H,2-3,5,7-8H2,1H3
InChIKeyJGAGRFYLXBKGSC-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.14
Rot. Bonds3

About 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 130642342) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID130642342
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESCCN1CCC(O)(Cc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c1-2-12-5-3-10(13,8-12)7-9-11-4-6-14-9/h4,6,13H,2-3,5,7-8H2,1H3
InChIKeyJGAGRFYLXBKGSC-UHFFFAOYSA-N
XLogP1.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-4-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
CID 79819374
1-methyl-4-(1,3-thiazol-2-ylmethyl)azepan-4-ol
CID 79824653
1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 81467728
1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130632851
1,3-diethylpyrrolidin-3-ol
CID 67586028
1-ethyl-3-(3-methylthiophen-2-yl)pyrrolidin-3-ol
CID 131140688
1-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidin-4-ol
CID 79744305
(3aR,8aR)-2-ethyl-5-(1,3-thiazol-2-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 97459676
2-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,3-thiazole
CID 131645302
1-ethyl-3-pyrazin-2-ylpyrrolidin-3-ol
CID 126985868
2,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
CID 131091306
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (CID 130642342) is 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is CCN1CCC(O)(Cc2nccs2)C1.
What is the InChIKey of 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is JGAGRFYLXBKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-12-5-3-10(13,8-12)7-9-11-4-6-14-9/h4,6,13H,2-3,5,7-8H2,1H3.
What are the key properties of 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130642342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).