7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine

C7H6ClN3S2 — CID 14359389

IUPAC7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1nc2nc(C)nc(Cl)c2s1
InChIInChI=1S/C7H6ClN3S2/c1-3-9-5(8)4-6(10-3)11-7(12-2)13-4/h1-2H3
InChIKeyOPPDAEXWQLSWEJ-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.77
Rot. Bonds1

About 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine

7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 14359389) has the molecular formula C7H6ClN3S2 and a molecular weight of 231.73 g/mol. Its IUPAC name is 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID14359389
Molecular FormulaC7H6ClN3S2
Molecular Weight231.73 g/mol
Exact Mass230.97
IUPAC Name7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1nc2nc(C)nc(Cl)c2s1
InChIInChI=1S/C7H6ClN3S2/c1-3-9-5(8)4-6(10-3)11-7(12-2)13-4/h1-2H3
InChIKeyOPPDAEXWQLSWEJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 14359389) is 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is CSc1nc2nc(C)nc(Cl)c2s1.
What is the InChIKey of 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is OPPDAEXWQLSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S2/c1-3-9-5(8)4-6(10-3)11-7(12-2)13-4/h1-2H3.
What are the key properties of 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 231.73 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 14359389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).