2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

C9H14ClN3OS — CID 115647828

IUPAC2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C9H14ClN3OS/c10-9-8(11-12-15-9)6-13-3-1-7(5-13)2-4-14/h7,14H,1-6H2
InChIKeyVXJAECYEAYFNPW-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115647828) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115647828
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C9H14ClN3OS/c10-9-8(11-12-15-9)6-13-3-1-7(5-13)2-4-14/h7,14H,1-6H2
InChIKeyVXJAECYEAYFNPW-UHFFFAOYSA-N
XLogP1.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol 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 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115647828) is 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2nnsc2Cl)C1.
What is the InChIKey of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is VXJAECYEAYFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c10-9-8(11-12-15-9)6-13-3-1-7(5-13)2-4-14/h7,14H,1-6H2.
What are the key properties of 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 247.75 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115647828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).