(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C11H13N3O5S — CID 95174309

IUPAC(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H13N3O5S/c1-12(2)10(15)7-5-20-6-13(7)11(16)8-3-4-9(19-8)14(17)18/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyYRUOVUULEUNXAD-SSDOTTSWSA-N
MW299.31 g/mol
LogP0.79
Rot. Bonds3

About (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95174309) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95174309
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H13N3O5S/c1-12(2)10(15)7-5-20-6-13(7)11(16)8-3-4-9(19-8)14(17)18/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1
InChIKeyYRUOVUULEUNXAD-SSDOTTSWSA-N
XLogP0.79
TPSA96.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
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

[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
3-[5-(dimethylsulfamoyl)furan-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359317
(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 95174306
(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 97335240
(3S,6R)-6-methyl-1-(5-nitrofuran-2-carbonyl)piperidine-3-carboxamide
CID 94200834
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
3-[3-(furan-3-yl)benzoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 75434211
3-(5-nitrofuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792748
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
N-benzyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512004
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
N,N-bis(2-methoxyethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511996

Frequently Asked Questions

What is the IUPAC name of (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95174309) is (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YRUOVUULEUNXAD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-12(2)10(15)7-5-20-6-13(7)11(16)8-3-4-9(19-8)14(17)18/h3-4,7H,5-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95174309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).