N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine

C17H22N4OS — CID 140996588

IUPACN-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine
SMILESCN(CCOc1ccc(CC2CNCS2)cc1)c1ncccn1
InChIInChI=1S/C17H22N4OS/c1-21(17-19-7-2-8-20-17)9-10-22-15-5-3-14(4-6-15)11-16-12-18-13-23-16/h2-8,16,18H,9-13H2,1H3
InChIKeyXHUDECNPLLFWKV-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.20
Rot. Bonds7

About N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine

N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine (PubChem CID 140996588) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine
PubChem CID140996588
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine
SMILESCN(CCOc1ccc(CC2CNCS2)cc1)c1ncccn1
InChIInChI=1S/C17H22N4OS/c1-21(17-19-7-2-8-20-17)9-10-22-15-5-3-14(4-6-15)11-16-12-18-13-23-16/h2-8,16,18H,9-13H2,1H3
InChIKeyXHUDECNPLLFWKV-UHFFFAOYSA-N
XLogP2.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
CID 141038307
1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine
CID 139712897
2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde
CID 139672060
5-[[4-[2-(2,3-dihydroindol-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine
CID 141169067
[3-[C-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]carbonimidoyl]phenyl] acetate
CID 139712877
CID 171990495
CID 171990495
5-[[4-[[(2S)-1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine
CID 140995182
(E)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 6537720
(5R)-5-[[4-[2-[methyl-(5-phenylmethoxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 95162135
5-[[4-[2-[hexadecyl(pyrimidin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139702308
but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propanedioic acid
CID 173120010
2-methoxy-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanenitrile
CID 18794786

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine (CID 140996588) is N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine is CN(CCOc1ccc(CC2CNCS2)cc1)c1ncccn1.
What is the InChIKey of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine?
The InChIKey is XHUDECNPLLFWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-21(17-19-7-2-8-20-17)9-10-22-15-5-3-14(4-6-15)11-16-12-18-13-23-16/h2-8,16,18H,9-13H2,1H3.
What are the key properties of N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine?
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine has a molecular weight of 330.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 140996588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).