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

C9H6N4S3 — CID 91019805

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
SMILESCc1nnc(Sc2ncc3sccc3n2)s1
InChIInChI=1S/C9H6N4S3/c1-5-12-13-9(15-5)16-8-10-4-7-6(11-8)2-3-14-7/h2-4H,1H3
InChIKeyWNZGSVPUOFMNMJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.00
Rot. Bonds2

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine (PubChem CID 91019805) has the molecular formula C9H6N4S3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
PubChem CID91019805
Molecular FormulaC9H6N4S3
Molecular Weight266.38 g/mol
Exact Mass265.98
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine
SMILESCc1nnc(Sc2ncc3sccc3n2)s1
InChIInChI=1S/C9H6N4S3/c1-5-12-13-9(15-5)16-8-10-4-7-6(11-8)2-3-14-7/h2-4H,1H3
InChIKeyWNZGSVPUOFMNMJ-UHFFFAOYSA-N
XLogP3.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine (CID 91019805) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine is Cc1nnc(Sc2ncc3sccc3n2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
The InChIKey is WNZGSVPUOFMNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S3/c1-5-12-13-9(15-5)16-8-10-4-7-6(11-8)2-3-14-7/h2-4H,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine has a molecular weight of 266.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 91019805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).