4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

C24H28N4O5S3 — CID 122536311

IUPAC4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccc(OCCOC)c(OCCOC)c3)c2c1N
InChIInChI=1S/C24H28N4O5S3/c1-4-13-36(29)24-19(25)18-20(27-21(28-22(18)35-24)23-26-7-12-34-23)15-5-6-16(32-10-8-30-2)17(14-15)33-11-9-31-3/h5-7,12,14H,4,8-11,13,25H2,1-3H3
InChIKeyGUOBSOZMBHIBAK-UHFFFAOYSA-N
MW548.71 g/mol
LogP4.63
Rot. Bonds13

About 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 122536311) has the molecular formula C24H28N4O5S3 and a molecular weight of 548.71 g/mol. Its IUPAC name is 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
PubChem CID122536311
Molecular FormulaC24H28N4O5S3
Molecular Weight548.71 g/mol
Exact Mass548.12
IUPAC Name4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
SMILESCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccc(OCCOC)c(OCCOC)c3)c2c1N
InChIInChI=1S/C24H28N4O5S3/c1-4-13-36(29)24-19(25)18-20(27-21(28-22(18)35-24)23-26-7-12-34-23)15-5-6-16(32-10-8-30-2)17(14-15)33-11-9-31-3/h5-7,12,14H,4,8-11,13,25H2,1-3H3
InChIKeyGUOBSOZMBHIBAK-UHFFFAOYSA-N
XLogP4.63
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.71
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 4797534
2-[5-[4-[(4-Aminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]ethanol
CID 60202392
1-[5-[4-[(4-Aminopyrimidin-2-yl)sulfanylmethyl]-5-propyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 117890332
2-[4-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol
CID 118059010
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 663899
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 24981266
N-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522310
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522320
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
CID 44522322
12-(1,3-Benzodioxol-5-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 118731169
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4-(1,3-thiazol-2-ylsulfanyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
CID 166627998
4-(3,4-Dimethoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-(1,3-thiazol-2-ylsulfanyl)pyrimidine-5-carbonitrile
CID 166636573

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 122536311) is 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is CCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccc(OCCOC)c(OCCOC)c3)c2c1N.
What is the InChIKey of 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
The InChIKey is GUOBSOZMBHIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S3/c1-4-13-36(29)24-19(25)18-20(27-21(28-22(18)35-24)23-26-7-12-34-23)15-5-6-16(32-10-8-30-2)17(14-15)33-11-9-31-3/h5-7,12,14H,4,8-11,13,25H2,1-3H3.
What are the key properties of 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?
4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 548.71 g/mol, XLogP of 4.63, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 122536311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).