1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol

C10H16N2OS — CID 131101386

IUPAC1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESCCCN1CCC(O)(c2ccsn2)C1
InChIInChI=1S/C10H16N2OS/c1-2-5-12-6-4-10(13,8-12)9-3-7-14-11-9/h3,7,13H,2,4-6,8H2,1H3
InChIKeyQKUQMYFDTGXEAR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.45
Rot. Bonds3

About 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol

1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (PubChem CID 131101386) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
PubChem CID131101386
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESCCCN1CCC(O)(c2ccsn2)C1
InChIInChI=1S/C10H16N2OS/c1-2-5-12-6-4-10(13,8-12)9-3-7-14-11-9/h3,7,13H,2,4-6,8H2,1H3
InChIKeyQKUQMYFDTGXEAR-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
1-Benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130604880
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
2-(1,2-Thiazol-3-yl)pentan-2-ol
CID 130634722
4-(1,2-Thiazol-3-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 130642967
1-Methyl-4-(1,2-thiazol-3-yl)azepan-4-ol
CID 130682472
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
1-Methyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 130704989
1-Amino-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130752218
1-Benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130804786
1-(1,2-Thiazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 130841193
1-Methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130874616

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (CID 131101386) is 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is CCCN1CCC(O)(c2ccsn2)C1.
What is the InChIKey of 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The InChIKey is QKUQMYFDTGXEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-5-12-6-4-10(13,8-12)9-3-7-14-11-9/h3,7,13H,2,4-6,8H2,1H3.
What are the key properties of 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 131101386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).