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

C13H24ClN3O2S — CID 119406281

IUPACN-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C13H23N3O2S.ClH/c14-6-3-7-15-12(17)11-8-19-9-16(11)13(18)10-4-1-2-5-10;/h10-11H,1-9,14H2,(H,15,17);1H
InChIKeyCDMRNHHVNGOIFH-UHFFFAOYSA-N
MW321.87 g/mol
LogP0.96
Rot. Bonds5

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

N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119406281) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119406281
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC NameN-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)C1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C13H23N3O2S.ClH/c14-6-3-7-15-12(17)11-8-19-9-16(11)13(18)10-4-1-2-5-10;/h10-11H,1-9,14H2,(H,15,17);1H
InChIKeyCDMRNHHVNGOIFH-UHFFFAOYSA-N
XLogP0.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 50.96
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

(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95156095
3-(cyclopentanecarbonyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119556578
(4R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95321789
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide
CID 95334963
3-(cyclopentanecarbonyl)-N-(piperidin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119461517
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95279006
(4R)-3-(cyclobutanecarbonyl)-N-(dicyclopropylmethyl)-1,3-thiazolidine-4-carboxamide
CID 97068575
[4-(4-aminopiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]-cyclopentylmethanone;hydrochloride
CID 119374240
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119406281) is N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.NCCCNC(=O)C1CSCN1C(=O)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is CDMRNHHVNGOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c14-6-3-7-15-12(17)11-8-19-9-16(11)13(18)10-4-1-2-5-10;/h10-11H,1-9,14H2,(H,15,17);1H.
What are the key properties of N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 0.96, 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-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119406281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).