2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine

C12H7Cl2N3S2 — CID 66801670

IUPAC2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12
InChIInChI=1S/C12H7Cl2N3S2/c1-18-12-9-10(15-5-16-12)17-11(19-9)8-6(13)3-2-4-7(8)14/h2-5H,1H3
InChIKeyNVUCYMQKNREZST-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.78
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine

2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 66801670) has the molecular formula C12H7Cl2N3S2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID66801670
Molecular FormulaC12H7Cl2N3S2
Molecular Weight328.25 g/mol
Exact Mass326.95
IUPAC Name2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12
InChIInChI=1S/C12H7Cl2N3S2/c1-18-12-9-10(15-5-16-12)17-11(19-9)8-6(13)3-2-4-7(8)14/h2-5H,1H3
InChIKeyNVUCYMQKNREZST-UHFFFAOYSA-N
XLogP4.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 66801670) is 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is CSc1ncnc2nc(-c3c(Cl)cccc3Cl)sc12.
What is the InChIKey of 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is NVUCYMQKNREZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3S2/c1-18-12-9-10(15-5-16-12)17-11(19-9)8-6(13)3-2-4-7(8)14/h2-5H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 328.25 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-7-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 66801670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).