3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H28ClN3O3S — CID 120945640

IUPAC3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H27N3O3S.ClH/c1-15(2,3)4-13(20)18-9-22-8-11(18)14(21)17-6-10-5-16-7-12(10)19;/h10-12,16,19H,4-9H2,1-3H3,(H,17,21);1H
InChIKeyIGWKKEAFJWYHHW-UHFFFAOYSA-N
MW365.93 g/mol
LogP0.44
Rot. Bonds4

About 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120945640) has the molecular formula C15H28ClN3O3S and a molecular weight of 365.93 g/mol. Its IUPAC name is 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120945640
Molecular FormulaC15H28ClN3O3S
Molecular Weight365.93 g/mol
Exact Mass365.15
IUPAC Name3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)CC(=O)N1CSCC1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H27N3O3S.ClH/c1-15(2,3)4-13(20)18-9-22-8-11(18)14(21)17-6-10-5-16-7-12(10)19;/h10-12,16,19H,4-9H2,1-3H3,(H,17,21);1H
InChIKeyIGWKKEAFJWYHHW-UHFFFAOYSA-N
XLogP0.44
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.93
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119642899
N-(2-amino-2-ethylbutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119642900
(4S)-N-[2-(dimethylamino)-2-oxoethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95612592
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95327328
(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95153320
3-(3,3-dimethylbutanoyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120575293
(4R)-N-[(3-cyanophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95292753
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 120945107
3,3-dimethyl-1-(4-methyl-1,3-thiazolidin-3-yl)butan-1-one
CID 58364462

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120945640) is 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)(C)CC(=O)N1CSCC1C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IGWKKEAFJWYHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S.ClH/c1-15(2,3)4-13(20)18-9-22-8-11(18)14(21)17-6-10-5-16-7-12(10)19;/h10-12,16,19H,4-9H2,1-3H3,(H,17,21);1H.
What are the key properties of 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 365.93 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120945640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).