3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride

C13H22ClN3O2S — CID 119631760

IUPAC3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
SMILESCc1sc(=O)n(CCC(=O)N2CCCC2CN)c1C.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-9-10(2)19-13(18)15(9)7-5-12(17)16-6-3-4-11(16)8-14;/h11H,3-8,14H2,1-2H3;1H
InChIKeyQUZFEAPQRAUBEP-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.29
Rot. Bonds4

About 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride

3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride (PubChem CID 119631760) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
PubChem CID119631760
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
SMILESCc1sc(=O)n(CCC(=O)N2CCCC2CN)c1C.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-9-10(2)19-13(18)15(9)7-5-12(17)16-6-3-4-11(16)8-14;/h11H,3-8,14H2,1-2H3;1H
InChIKeyQUZFEAPQRAUBEP-UHFFFAOYSA-N
XLogP1.29
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579620
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119435215
3-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119645145
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanethioamide
CID 63312910
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119633730
1-[2-(aminomethyl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butan-1-one;hydrochloride
CID 119469364
2-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 119631641
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
CID 119633040
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119631123
1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118205

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride?
The IUPAC name of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride (CID 119631760) is 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride is Cc1sc(=O)n(CCC(=O)N2CCCC2CN)c1C.Cl.
What is the InChIKey of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride?
The InChIKey is QUZFEAPQRAUBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-9-10(2)19-13(18)15(9)7-5-12(17)16-6-3-4-11(16)8-14;/h11H,3-8,14H2,1-2H3;1H.
What are the key properties of 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride?
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride is sourced from PubChem (CID 119631760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).