3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H26ClN3O2S — CID 119552345

IUPAC3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-14(2,3)13(19)17-9-20-8-11(17)12(18)16(4)10-5-6-15-7-10;/h10-11,15H,5-9H2,1-4H3;1H
InChIKeyIWJNMDXPANNLCW-UHFFFAOYSA-N
MW335.90 g/mol
LogP1.18
Rot. Bonds2

About 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride

3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119552345) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119552345
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC Name3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1CCNC1.Cl
InChIInChI=1S/C14H25N3O2S.ClH/c1-14(2,3)13(19)17-9-20-8-11(17)12(18)16(4)10-5-6-15-7-10;/h10-11,15H,5-9H2,1-4H3;1H
InChIKeyIWJNMDXPANNLCW-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylbenzoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide
CID 119551586
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119554864
3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 119535812
1-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119554865
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
CID 119551217
N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119552186
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-cyclohexyl-N-methyl-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 171352066

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119552345) is 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride is CN(C(=O)C1CSCN1C(=O)C(C)(C)C)C1CCNC1.Cl.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IWJNMDXPANNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S.ClH/c1-14(2,3)13(19)17-9-20-8-11(17)12(18)16(4)10-5-6-15-7-10;/h10-11,15H,5-9H2,1-4H3;1H.
What are the key properties of 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 335.90 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119552345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).