5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

C15H9FN4S3 — CID 9323630

IUPAC5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)s1
InChIInChI=1S/C15H9FN4S3/c1-8-19-20-15(22-8)23-14-12-11(6-21-13(12)17-7-18-14)9-2-4-10(16)5-3-9/h2-7H,1H3
InChIKeyXICHGLZQMXBGQV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.81
Rot. Bonds3

About 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 9323630) has the molecular formula C15H9FN4S3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID9323630
Molecular FormulaC15H9FN4S3
Molecular Weight360.46 g/mol
Exact Mass360.00
IUPAC Name5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)s1
InChIInChI=1S/C15H9FN4S3/c1-8-19-20-15(22-8)23-14-12-11(6-21-13(12)17-7-18-14)9-2-4-10(16)5-3-9/h2-7H,1H3
InChIKeyXICHGLZQMXBGQV-UHFFFAOYSA-N
XLogP4.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 9323630) is 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine is Cc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)s1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is XICHGLZQMXBGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4S3/c1-8-19-20-15(22-8)23-14-12-11(6-21-13(12)17-7-18-14)9-2-4-10(16)5-3-9/h2-7H,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 360.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9323630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).