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

C19H11FN6S2 — CID 1276736

IUPAC5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1
InChIInChI=1S/C19H11FN6S2/c20-13-8-6-12(7-9-13)15-10-27-17-16(15)18(22-11-21-17)28-19-23-24-25-26(19)14-4-2-1-3-5-14/h1-11H
InChIKeyGEFXAUDTCRZXTB-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.62
Rot. Bonds4

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

5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 1276736) has the molecular formula C19H11FN6S2 and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID1276736
Molecular FormulaC19H11FN6S2
Molecular Weight406.47 g/mol
Exact Mass406.05
IUPAC Name5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1
InChIInChI=1S/C19H11FN6S2/c20-13-8-6-12(7-9-13)15-10-27-17-16(15)18(22-11-21-17)28-19-23-24-25-26(19)14-4-2-1-3-5-14/h1-11H
InChIKeyGEFXAUDTCRZXTB-UHFFFAOYSA-N
XLogP4.62
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.62
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-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 1276736) is 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is GEFXAUDTCRZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN6S2/c20-13-8-6-12(7-9-13)15-10-27-17-16(15)18(22-11-21-17)28-19-23-24-25-26(19)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-(1-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 406.47 g/mol, XLogP of 4.62, 4 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-phenyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1276736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).