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

C5HCl2N3S — CID 44630675

IUPAC2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1nc2c(Cl)ncnc2s1
InChIInChI=1S/C5HCl2N3S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H
InChIKeyHIETVCLWXWMCSD-UHFFFAOYSA-N
MW206.06 g/mol
LogP2.39
Rot. Bonds

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

2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 44630675) has the molecular formula C5HCl2N3S and a molecular weight of 206.06 g/mol. Its IUPAC name is 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID44630675
Molecular FormulaC5HCl2N3S
Molecular Weight206.06 g/mol
Exact Mass204.93
IUPAC Name2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
SMILESClc1nc2c(Cl)ncnc2s1
InChIInChI=1S/C5HCl2N3S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H
InChIKeyHIETVCLWXWMCSD-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 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine (CID 44630675) is 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine is Clc1nc2c(Cl)ncnc2s1.
What is the InChIKey of 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is HIETVCLWXWMCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2N3S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H.
What are the key properties of 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine?
2,7-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 2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 44630675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).