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

C6H4ClN3S2 — CID 89272586

IUPAC7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCSc1nc(Cl)c2ncsc2n1
InChIInChI=1S/C6H4ClN3S2/c1-11-6-9-4(7)3-5(10-6)12-2-8-3/h2H,1H3
InChIKeyUPOUATGVSALCHX-UHFFFAOYSA-N
MW217.71 g/mol
LogP2.46
Rot. Bonds1

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

7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 89272586) has the molecular formula C6H4ClN3S2 and a molecular weight of 217.71 g/mol. Its IUPAC name is 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID89272586
Molecular FormulaC6H4ClN3S2
Molecular Weight217.71 g/mol
Exact Mass216.95
IUPAC Name7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCSc1nc(Cl)c2ncsc2n1
InChIInChI=1S/C6H4ClN3S2/c1-11-6-9-4(7)3-5(10-6)12-2-8-3/h2H,1H3
InChIKeyUPOUATGVSALCHX-UHFFFAOYSA-N
XLogP2.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 89272586) is 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is CSc1nc(Cl)c2ncsc2n1.
What is the InChIKey of 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is UPOUATGVSALCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S2/c1-11-6-9-4(7)3-5(10-6)12-2-8-3/h2H,1H3.
What are the key properties of 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine?
7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 217.71 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 89272586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).