4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

C23H20N6O2S2 — CID 24565688

IUPAC4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOCCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1ccncc1
InChIInChI=1S/C23H20N6O2S2/c1-30-12-11-29-20(16-7-9-24-10-8-16)27-28-23(29)33-22-19-18(13-32-21(19)25-14-26-22)15-3-5-17(31-2)6-4-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyVBGUYVIDKQGISJ-UHFFFAOYSA-N
MW476.59 g/mol
LogP4.82
Rot. Bonds8

About 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 24565688) has the molecular formula C23H20N6O2S2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID24565688
Molecular FormulaC23H20N6O2S2
Molecular Weight476.59 g/mol
Exact Mass476.11
IUPAC Name4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOCCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1ccncc1
InChIInChI=1S/C23H20N6O2S2/c1-30-12-11-29-20(16-7-9-24-10-8-16)27-28-23(29)33-22-19-18(13-32-21(19)25-14-26-22)15-3-5-17(31-2)6-4-15/h3-10,13-14H,11-12H2,1-2H3
InChIKeyVBGUYVIDKQGISJ-UHFFFAOYSA-N
XLogP4.82
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (CID 24565688) is 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is COCCn1c(Sc2ncnc3scc(-c4ccc(OC)cc4)c23)nnc1-c1ccncc1.
What is the InChIKey of 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is VBGUYVIDKQGISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S2/c1-30-12-11-29-20(16-7-9-24-10-8-16)27-28-23(29)33-22-19-18(13-32-21(19)25-14-26-22)15-3-5-17(31-2)6-4-15/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 476.59 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 24565688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).