N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride

C17H27Cl2N3OS — CID 119885001

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C17H25N3OS.2ClH/c1-19(17(21)16-12-22-13-18-16)9-15-7-8-20(11-15)10-14-5-3-2-4-6-14;;/h2-6,15-16,18H,7-13H2,1H3;2*1H
InChIKeyIQLAIMRNCYOUMM-UHFFFAOYSA-N
MW392.40 g/mol
LogP2.47
Rot. Bonds5

About N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119885001) has the molecular formula C17H27Cl2N3OS and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119885001
Molecular FormulaC17H27Cl2N3OS
Molecular Weight392.40 g/mol
Exact Mass391.13
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C17H25N3OS.2ClH/c1-19(17(21)16-12-22-13-18-16)9-15-7-8-20(11-15)10-14-5-3-2-4-6-14;;/h2-6,15-16,18H,7-13H2,1H3;2*1H
InChIKeyIQLAIMRNCYOUMM-UHFFFAOYSA-N
XLogP2.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119884957
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941664
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 63234484
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 136511981
3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119885001) is N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride is CN(CC1CCN(Cc2ccccc2)C1)C(=O)C1CSCN1.Cl.Cl.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is IQLAIMRNCYOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS.2ClH/c1-19(17(21)16-12-22-13-18-16)9-15-7-8-20(11-15)10-14-5-3-2-4-6-14;;/h2-6,15-16,18H,7-13H2,1H3;2*1H.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 392.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119885001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).