2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide

C9H10N4O2S — CID 137423175

IUPAC2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide
SMILES[N-]=[N+]=Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C9H10N4O2S/c10-12-11-8-2-4-9(5-3-8)13-6-1-7-16(13,14)15/h2-5H,1,6-7H2
InChIKeyIEDPBPLNFPXJIS-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.17
Rot. Bonds2

About 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide

2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 137423175) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID137423175
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide
SMILES[N-]=[N+]=Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C9H10N4O2S/c10-12-11-8-2-4-9(5-3-8)13-6-1-7-16(13,14)15/h2-5H,1,6-7H2
InChIKeyIEDPBPLNFPXJIS-UHFFFAOYSA-N
XLogP2.17
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
CID 168653690
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 166380566
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 18105399
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
2,7-bis(1,1-dioxo-1,2-thiazolidin-2-yl)fluoren-9-one
CID 127038162
3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
CID 57367642
2-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
CID 82864339
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 82513963
4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzene-1,2-dicarbonitrile
CID 107796090

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide (CID 137423175) is 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide is [N-]=[N+]=Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IEDPBPLNFPXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-12-11-8-2-4-9(5-3-8)13-6-1-7-16(13,14)15/h2-5H,1,6-7H2.
What are the key properties of 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide?
2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 238.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidophenyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 137423175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).