4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C8H8N4O3S — CID 12934953

IUPAC4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCn1c(=O)c2nc(C(N)=O)sc2n(C)c1=O
InChIInChI=1S/C8H8N4O3S/c1-11-6(14)3-7(12(2)8(11)15)16-5(10-3)4(9)13/h1-2H3,(H2,9,13)
InChIKeyAOGDRIATHOJSSD-UHFFFAOYSA-N
MW240.24 g/mol
LogP-1.21
Rot. Bonds1

About 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 12934953) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID12934953
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCn1c(=O)c2nc(C(N)=O)sc2n(C)c1=O
InChIInChI=1S/C8H8N4O3S/c1-11-6(14)3-7(12(2)8(11)15)16-5(10-3)4(9)13/h1-2H3,(H2,9,13)
InChIKeyAOGDRIATHOJSSD-UHFFFAOYSA-N
XLogP-1.21
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 12934953) is 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is Cn1c(=O)c2nc(C(N)=O)sc2n(C)c1=O.
What is the InChIKey of 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is AOGDRIATHOJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-11-6(14)3-7(12(2)8(11)15)16-5(10-3)4(9)13/h1-2H3,(H2,9,13).
What are the key properties of 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 240.24 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5,7-dioxo-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 12934953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).