N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide

C11H13N3O3S — CID 43708496

IUPACN-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1c(NC(=O)C2CSCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O3S/c1-7-8(3-2-4-10(7)14(16)17)13-11(15)9-5-18-6-12-9/h2-4,9,12H,5-6H2,1H3,(H,13,15)
InChIKeyOSIRHZMWTFWQIU-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.50
Rot. Bonds3

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

N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43708496) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID43708496
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1c(NC(=O)C2CSCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O3S/c1-7-8(3-2-4-10(7)14(16)17)13-11(15)9-5-18-6-12-9/h2-4,9,12H,5-6H2,1H3,(H,13,15)
InChIKeyOSIRHZMWTFWQIU-UHFFFAOYSA-N
XLogP1.50
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
N-(2,4-dimethyl-5-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 104757731
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79388584
cis-(1S,2R)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920123
N-(6-nitro-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 43703693
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
cis-(1R,2S)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 675791
1-methyl-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42956829

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide (CID 43708496) is N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide is Cc1c(NC(=O)C2CSCN2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OSIRHZMWTFWQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-8(3-2-4-10(7)14(16)17)13-11(15)9-5-18-6-12-9/h2-4,9,12H,5-6H2,1H3,(H,13,15).
What are the key properties of N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43708496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).