(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119859306

IUPAC(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1ncc(CN(C)C(=O)[C@@H]2CCCN2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-13-6-9(16-8)7-14(2)11(15)10-4-3-5-12-10;;/h6,10,12H,3-5,7H2,1-2H3;2*1H/t10-;;/m0../s1
InChIKeyIXRZHASTCOEKRW-XRIOVQLTSA-N
MW312.27 g/mol
LogP2.01
Rot. Bonds3

About (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119859306) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119859306
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC Name(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1ncc(CN(C)C(=O)[C@@H]2CCCN2)s1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-13-6-9(16-8)7-14(2)11(15)10-4-3-5-12-10;;/h6,10,12H,3-5,7H2,1-2H3;2*1H/t10-;;/m0../s1
InChIKeyIXRZHASTCOEKRW-XRIOVQLTSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-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

(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119859299
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide
CID 54872657
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119293813
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895037
(2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61162812
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917
(2-methyl-1,3-thiazol-5-yl)-pyrrolidin-2-ylmethanone
CID 83484821
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119835338
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62212128

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119859306) is (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is Cc1ncc(CN(C)C(=O)[C@@H]2CCCN2)s1.Cl.Cl.
What is the InChIKey of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is IXRZHASTCOEKRW-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8-13-6-9(16-8)7-14(2)11(15)10-4-3-5-12-10;;/h6,10,12H,3-5,7H2,1-2H3;2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119859306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).