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

C7H5Cl2N3S — CID 58333778

IUPAC5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(Cl)nc(Cl)nc2s1
InChIInChI=1S/C7H5Cl2N3S/c1-2-3-10-4-5(8)11-7(9)12-6(4)13-3/h2H2,1H3
InChIKeyONUFDIKLDBRWRF-UHFFFAOYSA-N
MW234.11 g/mol
LogP2.96
Rot. Bonds1

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

5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 58333778) has the molecular formula C7H5Cl2N3S and a molecular weight of 234.11 g/mol. Its IUPAC name is 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID58333778
Molecular FormulaC7H5Cl2N3S
Molecular Weight234.11 g/mol
Exact Mass232.96
IUPAC Name5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCCc1nc2c(Cl)nc(Cl)nc2s1
InChIInChI=1S/C7H5Cl2N3S/c1-2-3-10-4-5(8)11-7(9)12-6(4)13-3/h2H2,1H3
InChIKeyONUFDIKLDBRWRF-UHFFFAOYSA-N
XLogP2.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 58333778) is 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine is CCc1nc2c(Cl)nc(Cl)nc2s1.
What is the InChIKey of 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is ONUFDIKLDBRWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3S/c1-2-3-10-4-5(8)11-7(9)12-6(4)13-3/h2H2,1H3.
What are the key properties of 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine?
5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 234.11 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 58333778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).