N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide

C10H12N2O3S — CID 168653690

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
SMILESO=CNc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C10H12N2O3S/c13-8-11-9-2-4-10(5-3-9)12-6-1-7-16(12,14)15/h2-5,8H,1,6-7H2,(H,11,13)
InChIKeyBQEDQASQBIRDKQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.79
Rot. Bonds3

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide (PubChem CID 168653690) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
PubChem CID168653690
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
SMILESO=CNc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C10H12N2O3S/c13-8-11-9-2-4-10(5-3-9)12-6-1-7-16(12,14)15/h2-5,8H,1,6-7H2,(H,11,13)
InChIKeyBQEDQASQBIRDKQ-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-cyclopentyl-N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 7627719
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
CID 57367642
2-cyclopent-2-en-1-yl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 42932786
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide
CID 137423175

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide (CID 168653690) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide is O=CNc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide?
The InChIKey is BQEDQASQBIRDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-8-11-9-2-4-10(5-3-9)12-6-1-7-16(12,14)15/h2-5,8H,1,6-7H2,(H,11,13).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide has a molecular weight of 240.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide is sourced from PubChem (CID 168653690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).