2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

C15H22N2O2S — CID 42815102

IUPAC2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCNC(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-11(2)16-8-9-17-14(18)10-20-15(17)12-4-6-13(19-3)7-5-12/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyZNVCUXAYONRGGC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.27
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one

2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 42815102) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID42815102
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCNC(C)C)cc1
InChIInChI=1S/C15H22N2O2S/c1-11(2)16-8-9-17-14(18)10-20-15(17)12-4-6-13(19-3)7-5-12/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyZNVCUXAYONRGGC-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 93072504
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
3-[2-(2-hydroxyethylsulfanyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3832795
3-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3874642
2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42814433
(2S)-3-(1-adamantylmethyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 7072882
3-tert-butyl-1-[2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
CID 42814570
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one (CID 42815102) is 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCNC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is ZNVCUXAYONRGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(2)16-8-9-17-14(18)10-20-15(17)12-4-6-13(19-3)7-5-12/h4-7,11,15-16H,8-10H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42815102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).