N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide

C12H15BrN2OS — CID 81291659

IUPACN-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1CSCN1
InChIInChI=1S/C12H15BrN2OS/c1-2-8-5-9(13)3-4-10(8)15-12(16)11-6-17-7-14-11/h3-5,11,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyUSXCNQYOTYEMIX-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.61
Rot. Bonds3

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

N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 81291659) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID81291659
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1CSCN1
InChIInChI=1S/C12H15BrN2OS/c1-2-8-5-9(13)3-4-10(8)15-12(16)11-6-17-7-14-11/h3-5,11,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyUSXCNQYOTYEMIX-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43712493
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
N-(2-bromo-4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43709146
N-(2-bromo-4-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43711294
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81004246
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262947
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide (CID 81291659) is N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide is CCc1cc(Br)ccc1NC(=O)C1CSCN1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is USXCNQYOTYEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-2-8-5-9(13)3-4-10(8)15-12(16)11-6-17-7-14-11/h3-5,11,14H,2,6-7H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 81291659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).