N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

C15H18ClN3O3S — CID 119311147

IUPACN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)C1CCCN1
InChIInChI=1S/C15H17N3O3S.ClH/c19-13-9-22-15(21)18(13)8-10-3-5-11(6-4-10)17-14(20)12-2-1-7-16-12;/h3-6,12,16H,1-2,7-9H2,(H,17,20);1H
InChIKeyJPAFOHIQMJZTEQ-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.99
Rot. Bonds4

About N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119311147) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119311147
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)C1CCCN1
InChIInChI=1S/C15H17N3O3S.ClH/c19-13-9-22-15(21)18(13)8-10-3-5-11(6-4-10)17-14(20)12-2-1-7-16-12;/h3-6,12,16H,1-2,7-9H2,(H,17,20);1H
InChIKeyJPAFOHIQMJZTEQ-UHFFFAOYSA-N
XLogP1.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide
CID 119762304
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119866803
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119311147) is N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)C1CCCN1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JPAFOHIQMJZTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c19-13-9-22-15(21)18(13)8-10-3-5-11(6-4-10)17-14(20)12-2-1-7-16-12;/h3-6,12,16H,1-2,7-9H2,(H,17,20);1H.
What are the key properties of N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119311147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).