N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

C10H19N3O3S — CID 113264034

IUPACN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1CSCN1
InChIInChI=1S/C10H19N3O3S/c1-16-5-4-11-9(14)2-3-12-10(15)8-6-17-7-13-8/h8,13H,2-7H2,1H3,(H,11,14)(H,12,15)
InChIKeyYRPWDMXFNHOUEY-UHFFFAOYSA-N
MW261.35 g/mol
LogP-1.08
Rot. Bonds7

About N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 113264034) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
PubChem CID113264034
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCNC(=O)CCNC(=O)C1CSCN1
InChIInChI=1S/C10H19N3O3S/c1-16-5-4-11-9(14)2-3-12-10(15)8-6-17-7-13-8/h8,13H,2-7H2,1H3,(H,11,14)(H,12,15)
InChIKeyYRPWDMXFNHOUEY-UHFFFAOYSA-N
XLogP-1.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
CID 11775674
N-[2-(cyclopropylmethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103795956
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
CID 132961566
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119295663
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119274181
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide (CID 113264034) is N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide is COCCNC(=O)CCNC(=O)C1CSCN1.
What is the InChIKey of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YRPWDMXFNHOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-16-5-4-11-9(14)2-3-12-10(15)8-6-17-7-13-8/h8,13H,2-7H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 113264034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).