5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine

C23H28N6OS — CID 66968735

IUPAC5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine
SMILESNC1NC(N)C(c2ccc(OCCN3CCCC3)cc2)(c2cnc3ccccc3n2)S1
InChIInChI=1S/C23H28N6OS/c24-21-23(31-22(25)28-21,20-15-26-18-5-1-2-6-19(18)27-20)16-7-9-17(10-8-16)30-14-13-29-11-3-4-12-29/h1-2,5-10,15,21-22,28H,3-4,11-14,24-25H2
InChIKeyCTADKXSTOBOQHA-UHFFFAOYSA-N
MW436.59 g/mol
LogP2.21
Rot. Bonds6

About 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine

5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine (PubChem CID 66968735) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine
PubChem CID66968735
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine
SMILESNC1NC(N)C(c2ccc(OCCN3CCCC3)cc2)(c2cnc3ccccc3n2)S1
InChIInChI=1S/C23H28N6OS/c24-21-23(31-22(25)28-21,20-15-26-18-5-1-2-6-19(18)27-20)16-7-9-17(10-8-16)30-14-13-29-11-3-4-12-29/h1-2,5-10,15,21-22,28H,3-4,11-14,24-25H2
InChIKeyCTADKXSTOBOQHA-UHFFFAOYSA-N
XLogP2.21
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine with MolForge

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Related Compounds

3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
CID 18678270
3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-quinoxalin-2-yl-1,2,4-triazole-3,5-diamine
CID 24987307
1-[2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropyl]phenoxy]ethyl]pyrrolidine;dihydrochloride
CID 70394734
5-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-quinoxalin-2-yl-1H-1,2,4-triazole-3,5-diamine
CID 143719187
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-thieno[3,2-d]pyrimidin-4-yl-1H-1,2,4-triazole-3,5-diamine
CID 154230197
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-2,4-diamine
CID 121335035
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 21469300
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine?
The IUPAC name of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine (CID 66968735) is 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine.
What is the SMILES notation for 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine?
The canonical SMILES for 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine is NC1NC(N)C(c2ccc(OCCN3CCCC3)cc2)(c2cnc3ccccc3n2)S1.
What is the InChIKey of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine?
The InChIKey is CTADKXSTOBOQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c24-21-23(31-22(25)28-21,20-15-26-18-5-1-2-6-19(18)27-20)16-7-9-17(10-8-16)30-14-13-29-11-3-4-12-29/h1-2,5-10,15,21-22,28H,3-4,11-14,24-25H2.
What are the key properties of 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine?
5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine has a molecular weight of 436.59 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-quinoxalin-2-yl-1,3-thiazolidine-2,4-diamine is sourced from PubChem (CID 66968735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).