6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine

C15H9ClN4S3 — CID 26452190

IUPAC6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
SMILESCc1nnc(Sc2ncnc3cc(-c4ccc(Cl)cc4)sc23)s1
InChIInChI=1S/C15H9ClN4S3/c1-8-19-20-15(21-8)23-14-13-11(17-7-18-14)6-12(22-13)9-2-4-10(16)5-3-9/h2-7H,1H3
InChIKeyLKKYTVUCHQXEPJ-UHFFFAOYSA-N
MW376.92 g/mol
LogP5.32
Rot. Bonds3

About 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine

6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine (PubChem CID 26452190) has the molecular formula C15H9ClN4S3 and a molecular weight of 376.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
PubChem CID26452190
Molecular FormulaC15H9ClN4S3
Molecular Weight376.92 g/mol
Exact Mass375.97
IUPAC Name6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
SMILESCc1nnc(Sc2ncnc3cc(-c4ccc(Cl)cc4)sc23)s1
InChIInChI=1S/C15H9ClN4S3/c1-8-19-20-15(21-8)23-14-13-11(17-7-18-14)6-12(22-13)9-2-4-10(16)5-3-9/h2-7H,1H3
InChIKeyLKKYTVUCHQXEPJ-UHFFFAOYSA-N
XLogP5.32
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.92
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
The IUPAC name of 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine (CID 26452190) is 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine is Cc1nnc(Sc2ncnc3cc(-c4ccc(Cl)cc4)sc23)s1.
What is the InChIKey of 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
The InChIKey is LKKYTVUCHQXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4S3/c1-8-19-20-15(21-8)23-14-13-11(17-7-18-14)6-12(22-13)9-2-4-10(16)5-3-9/h2-7H,1H3.
What are the key properties of 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine has a molecular weight of 376.92 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 26452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).