3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C5H2ClN3OS — CID 135459391

IUPAC3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2snc(Cl)c12
InChIInChI=1S/C5H2ClN3OS/c6-3-2-4(10)7-1-8-5(2)11-9-3/h1H,(H,7,8,10)
InChIKeyDASCKRAHGBTDMD-UHFFFAOYSA-N
MW187.61 g/mol
LogP1.03
Rot. Bonds

About 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 135459391) has the molecular formula C5H2ClN3OS and a molecular weight of 187.61 g/mol. Its IUPAC name is 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID135459391
Molecular FormulaC5H2ClN3OS
Molecular Weight187.61 g/mol
Exact Mass186.96
IUPAC Name3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2snc(Cl)c12
InChIInChI=1S/C5H2ClN3OS/c6-3-2-4(10)7-1-8-5(2)11-9-3/h1H,(H,7,8,10)
InChIKeyDASCKRAHGBTDMD-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.61
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 135459391) is 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2snc(Cl)c12.
What is the InChIKey of 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DASCKRAHGBTDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClN3OS/c6-3-2-4(10)7-1-8-5(2)11-9-3/h1H,(H,7,8,10).
What are the key properties of 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 187.61 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135459391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).