6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine

C18H16Cl2N4O2S — CID 133471803

IUPAC6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2cnc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C18H16Cl2N4O2S/c19-14-8-16-17(9-15(14)20)23-18(11-21-16)22-10-12-3-1-4-13(7-12)24-5-2-6-27(24,25)26/h1,3-4,7-9,11H,2,5-6,10H2,(H,22,23)
InChIKeyPFZAPKQIOBVCII-UHFFFAOYSA-N
MW423.33 g/mol
LogP4.09
Rot. Bonds4

About 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine

6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine (PubChem CID 133471803) has the molecular formula C18H16Cl2N4O2S and a molecular weight of 423.33 g/mol. Its IUPAC name is 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
PubChem CID133471803
Molecular FormulaC18H16Cl2N4O2S
Molecular Weight423.33 g/mol
Exact Mass422.04
IUPAC Name6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
SMILESO=S1(=O)CCCN1c1cccc(CNc2cnc3cc(Cl)c(Cl)cc3n2)c1
InChIInChI=1S/C18H16Cl2N4O2S/c19-14-8-16-17(9-15(14)20)23-18(11-21-16)22-10-12-3-1-4-13(7-12)24-5-2-6-27(24,25)26/h1,3-4,7-9,11H,2,5-6,10H2,(H,22,23)
InChIKeyPFZAPKQIOBVCII-UHFFFAOYSA-N
XLogP4.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine with MolForge

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Related Compounds

N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methylpyrimidin-2-amine
CID 133471842
4-chloro-5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-2-phenylpyridazin-3-one
CID 133471935
5-(2-chlorophenyl)-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 133471957
7-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinolin-4-amine
CID 133471893
2-chloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-5-methyl-4-nitroaniline
CID 133471937
5-bromo-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-nitropyridin-2-amine
CID 133471773
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-7H-purin-6-amine
CID 133472021
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]methyl]benzoic acid
CID 122032900
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133471767
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133472023
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 139019354

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine (CID 133471803) is 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine is O=S1(=O)CCCN1c1cccc(CNc2cnc3cc(Cl)c(Cl)cc3n2)c1.
What is the InChIKey of 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine?
The InChIKey is PFZAPKQIOBVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2S/c19-14-8-16-17(9-15(14)20)23-18(11-21-16)22-10-12-3-1-4-13(7-12)24-5-2-6-27(24,25)26/h1,3-4,7-9,11H,2,5-6,10H2,(H,22,23).
What are the key properties of 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine?
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine has a molecular weight of 423.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 133471803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).