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

C16H30ClN3O2S — CID 120575293

IUPAC3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CSCN1C(=O)CC(C)(C)C.Cl
InChIInChI=1S/C16H29N3O2S.ClH/c1-11-12(6-5-7-17-11)18-15(21)13-9-22-10-19(13)14(20)8-16(2,3)4;/h11-13,17H,5-10H2,1-4H3,(H,18,21);1H
InChIKeyWTZLCXHBBPTOBX-UHFFFAOYSA-N
MW363.96 g/mol
LogP2.00
Rot. Bonds3

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

3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120575293) has the molecular formula C16H30ClN3O2S and a molecular weight of 363.96 g/mol. Its IUPAC name is 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120575293
Molecular FormulaC16H30ClN3O2S
Molecular Weight363.96 g/mol
Exact Mass363.17
IUPAC Name3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)C1CSCN1C(=O)CC(C)(C)C.Cl
InChIInChI=1S/C16H29N3O2S.ClH/c1-11-12(6-5-7-17-11)18-15(21)13-9-22-10-19(13)14(20)8-16(2,3)4;/h11-13,17H,5-10H2,1-4H3,(H,18,21);1H
InChIKeyWTZLCXHBBPTOBX-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575291
3-butanoyl-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide
CID 120577010
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119642900
3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120945640
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
CID 58364462
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
1-(3,3-dimethylbutanoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119425971
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120575293) is 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC1NCCCC1NC(=O)C1CSCN1C(=O)CC(C)(C)C.Cl.
What is the InChIKey of 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is WTZLCXHBBPTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S.ClH/c1-11-12(6-5-7-17-11)18-15(21)13-9-22-10-19(13)14(20)8-16(2,3)4;/h11-13,17H,5-10H2,1-4H3,(H,18,21);1H.
What are the key properties of 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 363.96 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120575293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).