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

C14H9FN6S2 — CID 2526122

IUPAC5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyXSTFJQSDZUXXBR-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.17
Rot. Bonds3

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

5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 2526122) has the molecular formula C14H9FN6S2 and a molecular weight of 344.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID2526122
Molecular FormulaC14H9FN6S2
Molecular Weight344.40 g/mol
Exact Mass344.03
IUPAC Name5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3
InChIKeyXSTFJQSDZUXXBR-UHFFFAOYSA-N
XLogP3.17
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 2526122) is 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is XSTFJQSDZUXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 344.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2526122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).