N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H19Cl2N3O2S — CID 119407342

IUPACN-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2S.ClH/c15-11-4-2-10(3-5-11)14(20)18-9-21-8-12(18)13(19)17-7-1-6-16;/h2-5,12H,1,6-9,16H2,(H,17,19);1H
InChIKeyPLVWJEFPLFQBRP-UHFFFAOYSA-N
MW364.30 g/mol
LogP1.74
Rot. Bonds5

About N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119407342) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119407342
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC NameN-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2S.ClH/c15-11-4-2-10(3-5-11)14(20)18-9-21-8-12(18)13(19)17-7-1-6-16;/h2-5,12H,1,6-9,16H2,(H,17,19);1H
InChIKeyPLVWJEFPLFQBRP-UHFFFAOYSA-N
XLogP1.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119507547
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119406281
3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
N-(3-aminopropyl)-1-(4-chlorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide;hydrochloride
CID 119408430
3-(4-chlorobenzoyl)-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 75446900
(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 97338589
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
3-benzoyl-N-(2-phenylsulfanylethyl)-1,3-thiazolidine-4-carboxamide
CID 51331976
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone
CID 119485673

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119407342) is N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is PLVWJEFPLFQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S.ClH/c15-11-4-2-10(3-5-11)14(20)18-9-21-8-12(18)13(19)17-7-1-6-16;/h2-5,12H,1,6-9,16H2,(H,17,19);1H.
What are the key properties of N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 364.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119407342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).