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

C5HCl2N3S — CID 609639

IUPAC5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1nc(Cl)c2ncsc2n1
InChIInChI=1S/C5HCl2N3S/c6-3-2-4(11-1-8-2)10-5(7)9-3/h1H
InChIKeyXYBGDWLYHQAUQM-UHFFFAOYSA-N
MW206.06 g/mol
LogP2.39
Rot. Bonds

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

5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 609639) has the molecular formula C5HCl2N3S and a molecular weight of 206.06 g/mol. Its IUPAC name is 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID609639
Molecular FormulaC5HCl2N3S
Molecular Weight206.06 g/mol
Exact Mass204.93
IUPAC Name5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1nc(Cl)c2ncsc2n1
InChIInChI=1S/C5HCl2N3S/c6-3-2-4(11-1-8-2)10-5(7)9-3/h1H
InChIKeyXYBGDWLYHQAUQM-UHFFFAOYSA-N
XLogP2.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine (CID 609639) is 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine is Clc1nc(Cl)c2ncsc2n1.
What is the InChIKey of 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is XYBGDWLYHQAUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3S/c6-3-2-4(11-1-8-2)10-5(7)9-3/h1H.
What are the key properties of 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 206.06 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 609639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).