N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide

C6H11BrN2OS — CID 154729350

IUPACN-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCBr)C1CSCN1
InChIInChI=1S/C6H11BrN2OS/c7-1-2-8-6(10)5-3-11-4-9-5/h5,9H,1-4H2,(H,8,10)
InChIKeyFLRFTHIDJXUAHS-UHFFFAOYSA-N
MW239.14 g/mol
LogP0.16
Rot. Bonds3

About N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide

N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 154729350) has the molecular formula C6H11BrN2OS and a molecular weight of 239.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID154729350
Molecular FormulaC6H11BrN2OS
Molecular Weight239.14 g/mol
Exact Mass237.98
IUPAC NameN-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCBr)C1CSCN1
InChIInChI=1S/C6H11BrN2OS/c7-1-2-8-6(10)5-3-11-4-9-5/h5,9H,1-4H2,(H,8,10)
InChIKeyFLRFTHIDJXUAHS-UHFFFAOYSA-N
XLogP0.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705
N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl nitrate
CID 11775674

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide (CID 154729350) is N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCBr)C1CSCN1.
What is the InChIKey of N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FLRFTHIDJXUAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2OS/c7-1-2-8-6(10)5-3-11-4-9-5/h5,9H,1-4H2,(H,8,10).
What are the key properties of N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide?
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 239.14 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 154729350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).