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

C15H20ClN3O3S — CID 119311151

IUPAC2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1.Cl
InChIInChI=1S/C15H19N3O3S.ClH/c1-2-3-12(16)14(20)17-11-6-4-10(5-7-11)8-18-13(19)9-22-15(18)21;/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,20);1H
InChIKeyPLOYERAWPGTEOB-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.37
Rot. Bonds6

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

2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride (PubChem CID 119311151) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
PubChem CID119311151
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1.Cl
InChIInChI=1S/C15H19N3O3S.ClH/c1-2-3-12(16)14(20)17-11-6-4-10(5-7-11)8-18-13(19)9-22-15(18)21;/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,20);1H
InChIKeyPLOYERAWPGTEOB-UHFFFAOYSA-N
XLogP2.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.37
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

(2S)-2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119311145
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119284992
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
CID 105352128
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119843461
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119866785
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride (CID 119311151) is 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride?
The InChIKey is PLOYERAWPGTEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S.ClH/c1-2-3-12(16)14(20)17-11-6-4-10(5-7-11)8-18-13(19)9-22-15(18)21;/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,20);1H.
What are the key properties of 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride?
2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119311151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).