5-chloro-2-pyrrolidin-3-yl-1,3-thiazole

C7H9ClN2S — CID 117259065

IUPAC5-chloro-2-pyrrolidin-3-yl-1,3-thiazole
SMILESClc1cnc(C2CCNC2)s1
InChIInChI=1S/C7H9ClN2S/c8-6-4-10-7(11-6)5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeyJZXIKVYXNLGCON-UHFFFAOYSA-N
MW188.68 g/mol
LogP1.87
Rot. Bonds1

About 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole

5-chloro-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 117259065) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID117259065
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name5-chloro-2-pyrrolidin-3-yl-1,3-thiazole
SMILESClc1cnc(C2CCNC2)s1
InChIInChI=1S/C7H9ClN2S/c8-6-4-10-7(11-6)5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeyJZXIKVYXNLGCON-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole 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-chloro-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole (CID 117259065) is 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole is Clc1cnc(C2CCNC2)s1.
What is the InChIKey of 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is JZXIKVYXNLGCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-6-4-10-7(11-6)5-1-2-9-3-5/h4-5,9H,1-3H2.
What are the key properties of 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole?
5-chloro-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 188.68 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 117259065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).