[1,3]thiazolo[5,4-d]pyrimidine 3-oxide

C5H3N3OS — CID 66780398

IUPAC[1,3]thiazolo[5,4-d]pyrimidine 3-oxide
SMILESO=S1C=Nc2cncnc21
InChIInChI=1S/C5H3N3OS/c9-10-3-8-4-1-6-2-7-5(4)10/h1-3H
InChIKeyAKDQOJPOLRMVMF-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.26
Rot. Bonds

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

[1,3]thiazolo[5,4-d]pyrimidine 3-oxide (PubChem CID 66780398) has the molecular formula C5H3N3OS and a molecular weight of 153.17 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-d]pyrimidine 3-oxide.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-d]pyrimidine 3-oxide
PubChem CID66780398
Molecular FormulaC5H3N3OS
Molecular Weight153.17 g/mol
Exact Mass153.00
IUPAC Name[1,3]thiazolo[5,4-d]pyrimidine 3-oxide
SMILESO=S1C=Nc2cncnc21
InChIInChI=1S/C5H3N3OS/c9-10-3-8-4-1-6-2-7-5(4)10/h1-3H
InChIKeyAKDQOJPOLRMVMF-UHFFFAOYSA-N
XLogP0.26
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylsulfanylpyrimidin-5-amine
CID 320002
Thiadiazolopyrimidone
CID 69253610
Thiazolidinopyrimidine
CID 69883139
5H-pyrimido[4,5-b][1,4]thiazine
CID 70491199
Pyrimido[4,5-b][1,4]thiazine
CID 70491204
Aminothiazolopyrimidinone
CID 129813306
Dioxothiazolopyrimidine
CID 145944176
5-Pyrimidinamine, 2-chloro-4-(ethylthio)-
CID 605055
5-Amino-2-chloro-4-methylthiopyrimidine
CID 18704809
Thiazolo[5,4-d]pyrimidin-2(1H)-one
CID 45121836
propane;2H-[1,3]thiazolo[5,4-d]pyrimidin-2-ide;yttrium
CID 58546914
Thiadiazolo[5,4-d]pyrimidine 3,3-dioxide
CID 69334490

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-d]pyrimidine 3-oxide?
The IUPAC name of [1,3]thiazolo[5,4-d]pyrimidine 3-oxide (CID 66780398) is [1,3]thiazolo[5,4-d]pyrimidine 3-oxide.
What is the SMILES notation for [1,3]thiazolo[5,4-d]pyrimidine 3-oxide?
The canonical SMILES for [1,3]thiazolo[5,4-d]pyrimidine 3-oxide is O=S1C=Nc2cncnc21.
What is the InChIKey of [1,3]thiazolo[5,4-d]pyrimidine 3-oxide?
The InChIKey is AKDQOJPOLRMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3OS/c9-10-3-8-4-1-6-2-7-5(4)10/h1-3H.
What are the key properties of [1,3]thiazolo[5,4-d]pyrimidine 3-oxide?
[1,3]thiazolo[5,4-d]pyrimidine 3-oxide has a molecular weight of 153.17 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-d]pyrimidine 3-oxide is sourced from PubChem (CID 66780398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).