1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol

C8H12N2OS — CID 130952205

IUPAC1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccns2)C1
InChIInChI=1S/C8H12N2OS/c1-10-5-3-8(11,6-10)7-2-4-9-12-7/h2,4,11H,3,5-6H2,1H3
InChIKeyPDKVKKXIENWNGB-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.67
Rot. Bonds1

About 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol

1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol (PubChem CID 130952205) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
PubChem CID130952205
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)(c2ccns2)C1
InChIInChI=1S/C8H12N2OS/c1-10-5-3-8(11,6-10)7-2-4-9-12-7/h2,4,11H,3,5-6H2,1H3
InChIKeyPDKVKKXIENWNGB-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

Analyze 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol 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

2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-(1,2-Thiazol-5-yl)azetidin-3-ol
CID 131220900
1-Tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol
CID 164764062
1,1-Bis(1,2-thiazol-5-yl)ethan-1-ol
CID 27282123
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
1-Methyl-3-(3-methyl-1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130874616
4-Amino-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130900773
3,3-Dimethyl-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130914175
2-(Dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 130917847
4-Methyl-2-(1,2-thiazol-5-yl)pentan-2-ol
CID 130942700
4-(1,2-Thiazol-5-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 130942811
5-Isothiazolemethanol, I+/--methyl-I+/--(2-pyrrolidinylmethyl)-
CID 130975146

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol (CID 130952205) is 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol is CN1CCC(O)(c2ccns2)C1.
What is the InChIKey of 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is PDKVKKXIENWNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-5-3-8(11,6-10)7-2-4-9-12-7/h2,4,11H,3,5-6H2,1H3.
What are the key properties of 1-methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol?
1-methyl-3-(1,2-thiazol-5-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-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130952205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).