3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H28ClN3O2S — CID 119536892

IUPAC3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-2-3-4-14(19)18-11-21-10-13(18)15(20)17-8-6-12-5-7-16-9-12;/h12-13,16H,2-11H2,1H3,(H,17,20);1H
InChIKeyRGRPPZPLJHMBIG-UHFFFAOYSA-N
MW349.93 g/mol
LogP1.62
Rot. Bonds7

About 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119536892) has the molecular formula C15H28ClN3O2S and a molecular weight of 349.93 g/mol. Its IUPAC name is 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119536892
Molecular FormulaC15H28ClN3O2S
Molecular Weight349.93 g/mol
Exact Mass349.16
IUPAC Name3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-2-3-4-14(19)18-11-21-10-13(18)15(20)17-8-6-12-5-7-16-9-12;/h12-13,16H,2-11H2,1H3,(H,17,20);1H
InChIKeyRGRPPZPLJHMBIG-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoyl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 119535812
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
3-(cyclopentanecarbonyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119556578
1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119458398
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
4-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229835
N-(3-methylpiperidin-4-yl)-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120557816
N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119529034
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119579628

Frequently Asked Questions

What is the IUPAC name of 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119536892) is 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CCCCC(=O)N1CSCC1C(=O)NCCC1CCNC1.Cl.
What is the InChIKey of 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is RGRPPZPLJHMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.ClH/c1-2-3-4-14(19)18-11-21-10-13(18)15(20)17-8-6-12-5-7-16-9-12;/h12-13,16H,2-11H2,1H3,(H,17,20);1H.
What are the key properties of 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 349.93 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentanoyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119536892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).