5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

C15H12N6OS2 — CID 26471808

IUPAC5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Sc4nnnn4C)c23)cc1
InChIInChI=1S/C15H12N6OS2/c1-21-15(18-19-20-21)24-14-12-11(7-23-13(12)16-8-17-14)9-3-5-10(22-2)6-4-9/h3-8H,1-2H3
InChIKeyJNESTBBQPGLCPJ-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.04
Rot. Bonds4

About 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 26471808) has the molecular formula C15H12N6OS2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID26471808
Molecular FormulaC15H12N6OS2
Molecular Weight356.44 g/mol
Exact Mass356.05
IUPAC Name5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Sc4nnnn4C)c23)cc1
InChIInChI=1S/C15H12N6OS2/c1-21-15(18-19-20-21)24-14-12-11(7-23-13(12)16-8-17-14)9-3-5-10(22-2)6-4-9/h3-8H,1-2H3
InChIKeyJNESTBBQPGLCPJ-UHFFFAOYSA-N
XLogP3.04
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[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

Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
6-(4-Methoxyphenyl)-3-(3-thienyl)-pyrazolo(1,5-a)pyrimidine
CID 5329468
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
2-[[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 1946404
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
MRGPRX1 agonist 2
CID 719971
MRGPRX1 agonist 3
CID 9212907
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 23631944
2-[3-[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide
CID 25567871
6-Tert-butyl-4-(2-fluorophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 163391841

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 26471808) is 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(Sc4nnnn4C)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is JNESTBBQPGLCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS2/c1-21-15(18-19-20-21)24-14-12-11(7-23-13(12)16-8-17-14)9-3-5-10(22-2)6-4-9/h3-8H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 356.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 26471808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).