4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine

C14H10N6S2 — CID 2432214

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C14H10N6S2/c1-20-14(17-18-19-20)22-13-11-10(9-5-3-2-4-6-9)7-21-12(11)15-8-16-13/h2-8H,1H3
InChIKeyHIPMWEIBNDUPSH-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.03
Rot. Bonds3

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

4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 2432214) has the molecular formula C14H10N6S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID2432214
Molecular FormulaC14H10N6S2
Molecular Weight326.41 g/mol
Exact Mass326.04
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C14H10N6S2/c1-20-14(17-18-19-20)22-13-11-10(9-5-3-2-4-6-9)7-21-12(11)15-8-16-13/h2-8H,1H3
InChIKeyHIPMWEIBNDUPSH-UHFFFAOYSA-N
XLogP3.03
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[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-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine (CID 2432214) is 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine is Cn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is HIPMWEIBNDUPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6S2/c1-20-14(17-18-19-20)22-13-11-10(9-5-3-2-4-6-9)7-21-12(11)15-8-16-13/h2-8H,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine?
4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 326.41 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2432214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).