2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

C9H14ClN3OS — CID 71645049

IUPAC2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CNC1CCNC1)c1nccs1
InChIInChI=1S/C9H13N3OS.ClH/c13-8(9-11-3-4-14-9)6-12-7-1-2-10-5-7;/h3-4,7,10,12H,1-2,5-6H2;1H
InChIKeyDULLIDJRXKCANB-UHFFFAOYSA-N
MW247.75 g/mol
LogP0.70
Rot. Bonds4

About 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (PubChem CID 71645049) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
PubChem CID71645049
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CNC1CCNC1)c1nccs1
InChIInChI=1S/C9H13N3OS.ClH/c13-8(9-11-3-4-14-9)6-12-7-1-2-10-5-7;/h3-4,7,10,12H,1-2,5-6H2;1H
InChIKeyDULLIDJRXKCANB-UHFFFAOYSA-N
XLogP0.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride 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-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (CID 71645049) is 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is Cl.O=C(CNC1CCNC1)c1nccs1.
What is the InChIKey of 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The InChIKey is DULLIDJRXKCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS.ClH/c13-8(9-11-3-4-14-9)6-12-7-1-2-10-5-7;/h3-4,7,10,12H,1-2,5-6H2;1H.
What are the key properties of 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71645049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).