N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C12H25Cl2N3OS — CID 119878784

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1CSCN1)C1CCCC1.Cl.Cl
InChIInChI=1S/C12H23N3OS.2ClH/c1-15(10-4-2-3-5-10)7-6-13-12(16)11-8-17-9-14-11;;/h10-11,14H,2-9H2,1H3,(H,13,16);2*1H
InChIKeyBOBOFWTURAEWMG-UHFFFAOYSA-N
MW330.33 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119878784) has the molecular formula C12H25Cl2N3OS and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119878784
Molecular FormulaC12H25Cl2N3OS
Molecular Weight330.33 g/mol
Exact Mass329.11
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1CSCN1)C1CCCC1.Cl.Cl
InChIInChI=1S/C12H23N3OS.2ClH/c1-15(10-4-2-3-5-10)7-6-13-12(16)11-8-17-9-14-11;;/h10-11,14H,2-9H2,1H3,(H,13,16);2*1H
InChIKeyBOBOFWTURAEWMG-UHFFFAOYSA-N
XLogP1.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63316025
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[2-(dimethylamino)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830630
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119878784) is N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is CN(CCNC(=O)C1CSCN1)C1CCCC1.Cl.Cl.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is BOBOFWTURAEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS.2ClH/c1-15(10-4-2-3-5-10)7-6-13-12(16)11-8-17-9-14-11;;/h10-11,14H,2-9H2,1H3,(H,13,16);2*1H.
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 330.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119878784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).