N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide

C11H14N2O2S — CID 79602563

IUPACN-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CSCN2)c1O
InChIInChI=1S/C11H14N2O2S/c1-7-3-2-4-8(10(7)14)13-11(15)9-5-16-6-12-9/h2-4,9,12,14H,5-6H2,1H3,(H,13,15)
InChIKeyWCTUGWDCQSKNFL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.30
Rot. Bonds2

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

N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 79602563) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID79602563
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CSCN2)c1O
InChIInChI=1S/C11H14N2O2S/c1-7-3-2-4-8(10(7)14)13-11(15)9-5-16-6-12-9/h2-4,9,12,14H,5-6H2,1H3,(H,13,15)
InChIKeyWCTUGWDCQSKNFL-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 43708496
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(2-hydroxy-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 79590378

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 79602563) is N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)C2CSCN2)c1O.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WCTUGWDCQSKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7-3-2-4-8(10(7)14)13-11(15)9-5-16-6-12-9/h2-4,9,12,14H,5-6H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 79602563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).