4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine

C15H12N6S2 — CID 133408075

IUPAC4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nnnn3Cc3ccccc3)ncnc2s1
InChIInChI=1S/C15H12N6S2/c1-10-7-12-13(22-10)16-9-17-14(12)23-15-18-19-20-21(15)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyKQFVZRCBZDJTKE-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.19
Rot. Bonds4

About 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine

4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133408075) has the molecular formula C15H12N6S2 and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
PubChem CID133408075
Molecular FormulaC15H12N6S2
Molecular Weight340.44 g/mol
Exact Mass340.06
IUPAC Name4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Sc3nnnn3Cc3ccccc3)ncnc2s1
InChIInChI=1S/C15H12N6S2/c1-10-7-12-13(22-10)16-9-17-14(12)23-15-18-19-20-21(15)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyKQFVZRCBZDJTKE-UHFFFAOYSA-N
XLogP3.19
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[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-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine (CID 133408075) is 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Sc3nnnn3Cc3ccccc3)ncnc2s1.
What is the InChIKey of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is KQFVZRCBZDJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S2/c1-10-7-12-13(22-10)16-9-17-14(12)23-15-18-19-20-21(15)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine?
4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 340.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyltetrazol-5-yl)sulfanyl-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133408075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).