5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine

C12H8ClN3S2 — CID 67123666

IUPAC5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCSc1nc(-c2ccc(Cl)cc2)nc2scnc12
InChIInChI=1S/C12H8ClN3S2/c1-17-11-9-12(18-6-14-9)16-10(15-11)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyGERXBQFSERSFSZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.13
Rot. Bonds2

About 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine

5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 67123666) has the molecular formula C12H8ClN3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID67123666
Molecular FormulaC12H8ClN3S2
Molecular Weight293.80 g/mol
Exact Mass292.98
IUPAC Name5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCSc1nc(-c2ccc(Cl)cc2)nc2scnc12
InChIInChI=1S/C12H8ClN3S2/c1-17-11-9-12(18-6-14-9)16-10(15-11)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyGERXBQFSERSFSZ-UHFFFAOYSA-N
XLogP4.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 67123666) is 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is CSc1nc(-c2ccc(Cl)cc2)nc2scnc12.
What is the InChIKey of 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is GERXBQFSERSFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S2/c1-17-11-9-12(18-6-14-9)16-10(15-11)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 293.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 67123666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).