5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

C10H18N4OS — CID 66052032

IUPAC5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCc1nsc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-7-11-10(16-12-7)14-6-9(15)4-8(14)5-13(2)3/h8-9,15H,4-6H2,1-3H3
InChIKeyBWHXPKZLBKQMQZ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.35
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 66052032) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID66052032
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCc1nsc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C10H18N4OS/c1-7-11-10(16-12-7)14-6-9(15)4-8(14)5-13(2)3/h8-9,15H,4-6H2,1-3H3
InChIKeyBWHXPKZLBKQMQZ-UHFFFAOYSA-N
XLogP0.35
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 66052032) is 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is Cc1nsc(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is BWHXPKZLBKQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-11-10(16-12-7)14-6-9(15)4-8(14)5-13(2)3/h8-9,15H,4-6H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 242.35 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 66052032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).