2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H10N2O5S2 — CID 63792679

IUPAC2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H10N2O5S2/c1-5-11(6(4-18-5)10(14)15)9(13)7-2-3-8(19-7)12(16)17/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeyGARYCJWYEPTUIQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.64
Rot. Bonds3

About 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792679) has the molecular formula C10H10N2O5S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792679
Molecular FormulaC10H10N2O5S2
Molecular Weight302.33 g/mol
Exact Mass302.00
IUPAC Name2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C10H10N2O5S2/c1-5-11(6(4-18-5)10(14)15)9(13)7-2-3-8(19-7)12(16)17/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeyGARYCJWYEPTUIQ-UHFFFAOYSA-N
XLogP1.64
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methyl-3-(1-methyl-5-nitropyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791594
2-methyl-3-(1-methyl-4-nitropyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63793038
2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791944
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
3-(4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791430
2-methyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792326
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661
(3-chloro-4-methylpiperidin-1-yl)-(5-nitrothiophen-2-yl)methanone
CID 114033539
3-(3,5-difluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793201
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089
1-(5-nitrothiophene-2-carbonyl)piperidin-4-one
CID 103600797
[(3R)-3-aminopyrrolidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 81468887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63792679) is 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GARYCJWYEPTUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S2/c1-5-11(6(4-18-5)10(14)15)9(13)7-2-3-8(19-7)12(16)17/h2-3,5-6H,4H2,1H3,(H,14,15).
What are the key properties of 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).