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

C8H12N2OS — CID 130625922

IUPAC1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccsn2)C1
InChIInChI=1S/C8H12N2OS/c1-10-4-3-8(11,6-10)7-2-5-12-9-7/h2,5,11H,3-4,6H2,1H3
InChIKeyPDGUMASLHKCNFY-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.67
Rot. Bonds1

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

1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (PubChem CID 130625922) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
PubChem CID130625922
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccsn2)C1
InChIInChI=1S/C8H12N2OS/c1-10-4-3-8(11,6-10)7-2-5-12-9-7/h2,5,11H,3-4,6H2,1H3
InChIKeyPDGUMASLHKCNFY-UHFFFAOYSA-N
XLogP0.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.67
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
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-(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
1-Amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130908848
1-Methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
2-Methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 130986972

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (CID 130625922) is 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is CN1CCC(O)(c2ccsn2)C1.
What is the InChIKey of 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The InChIKey is PDGUMASLHKCNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-4-3-8(11,6-10)7-2-5-12-9-7/h2,5,11H,3-4,6H2,1H3.
What are the key properties of 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol has a molecular weight of 184.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130625922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).