N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide

C12H15BrN2OS — CID 107574265

IUPACN-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CSCN2)cc(C)c1Br
InChIInChI=1S/C12H15BrN2OS/c1-7-3-9(4-8(2)11(7)13)15-12(16)10-5-17-6-14-10/h3-4,10,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyJRQOTBWXSPRPKJ-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.67
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide

N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 107574265) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID107574265
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CSCN2)cc(C)c1Br
InChIInChI=1S/C12H15BrN2OS/c1-7-3-9(4-8(2)11(7)13)15-12(16)10-5-17-6-14-10/h3-4,10,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyJRQOTBWXSPRPKJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(2-methyl-4-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119832878
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(6-bromo-3-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 110672131
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
(4S)-N-thiophen-3-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326722

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide (CID 107574265) is N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cc(NC(=O)C2CSCN2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JRQOTBWXSPRPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-7-3-9(4-8(2)11(7)13)15-12(16)10-5-17-6-14-10/h3-4,10,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 107574265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).