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

C15H28ClN3O2S — CID 120575291

IUPAC3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CSCN1C(=O)C(C)(C)C.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-10-11(6-5-7-16-10)17-13(19)12-8-21-9-18(12)14(20)15(2,3)4;/h10-12,16H,5-9H2,1-4H3,(H,17,19);1H
InChIKeyMFRXEMAFSUGJNV-UHFFFAOYSA-N
MW349.93 g/mol
LogP1.61
Rot. Bonds2

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

3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120575291) has the molecular formula C15H28ClN3O2S and a molecular weight of 349.93 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120575291
Molecular FormulaC15H28ClN3O2S
Molecular Weight349.93 g/mol
Exact Mass349.16
IUPAC Name3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CSCN1C(=O)C(C)(C)C.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-10-11(6-5-7-16-10)17-13(19)12-8-21-9-18(12)14(20)15(2,3)4;/h10-12,16H,5-9H2,1-4H3,(H,17,19);1H
InChIKeyMFRXEMAFSUGJNV-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575293
3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
CID 120577010
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120826760
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816
(4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95309616
N-(2-methylpiperidin-3-yl)prop-2-ynamide
CID 114694858
N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
CID 104941383
2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119490715
3-(2,2-dimethylpropanoyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119552345

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120575291) is 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1CSCN1C(=O)C(C)(C)C.Cl.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is MFRXEMAFSUGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.ClH/c1-10-11(6-5-7-16-10)17-13(19)12-8-21-9-18(12)14(20)15(2,3)4;/h10-12,16H,5-9H2,1-4H3,(H,17,19);1H.
What are the key properties of 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 349.93 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120575291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).