4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride

C7H13Cl2N3S — CID 171340444

IUPAC4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(C2CCNC2)cs1
InChIInChI=1S/C7H11N3S.2ClH/c8-7-10-6(4-11-7)5-1-2-9-3-5;;/h4-5,9H,1-3H2,(H2,8,10);2*1H
InChIKeyWGOPGWWXPRPNDT-UHFFFAOYSA-N
MW242.17 g/mol
LogP1.65
Rot. Bonds1

About 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride

4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 171340444) has the molecular formula C7H13Cl2N3S and a molecular weight of 242.17 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID171340444
Molecular FormulaC7H13Cl2N3S
Molecular Weight242.17 g/mol
Exact Mass241.02
IUPAC Name4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(C2CCNC2)cs1
InChIInChI=1S/C7H11N3S.2ClH/c8-7-10-6(4-11-7)5-1-2-9-3-5;;/h4-5,9H,1-3H2,(H2,8,10);2*1H
InChIKeyWGOPGWWXPRPNDT-UHFFFAOYSA-N
XLogP1.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride 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 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride (CID 171340444) is 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.Nc1nc(C2CCNC2)cs1.
What is the InChIKey of 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is WGOPGWWXPRPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.2ClH/c8-7-10-6(4-11-7)5-1-2-9-3-5;;/h4-5,9H,1-3H2,(H2,8,10);2*1H.
What are the key properties of 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride?
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 242.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 171340444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).