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

C6H3Cl2N3S2 — CID 13021884

IUPAC5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C6H3Cl2N3S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3
InChIKeyLGWQAKNSIYXJPN-UHFFFAOYSA-N
MW252.15 g/mol
LogP3.12
Rot. Bonds1

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

5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 13021884) has the molecular formula C6H3Cl2N3S2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID13021884
Molecular FormulaC6H3Cl2N3S2
Molecular Weight252.15 g/mol
Exact Mass250.91
IUPAC Name5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCSc1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C6H3Cl2N3S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3
InChIKeyLGWQAKNSIYXJPN-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 13021884) is 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is CSc1nc2nc(Cl)nc(Cl)c2s1.
What is the InChIKey of 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is LGWQAKNSIYXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3S2/c1-12-6-11-4-2(13-6)3(7)9-5(8)10-4/h1H3.
What are the key properties of 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine?
5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 252.15 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 13021884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).