N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119841463

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2CCNC2)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-14-10(7-16-8)3-5-13-11(15)9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyFVLVJNAWKJRDLV-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119841463) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119841463
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2CCNC2)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-14-10(7-16-8)3-5-13-11(15)9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyFVLVJNAWKJRDLV-UHFFFAOYSA-N
XLogP1.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride 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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 110471916
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119841465
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33263319
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640813
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119841463) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1nc(CCNC(=O)C2CCNC2)cs1.Cl.Cl.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is FVLVJNAWKJRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8-14-10(7-16-8)3-5-13-11(15)9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119841463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).