5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione

C10H13N3O2S — CID 67989896

IUPAC5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
SMILESCC(C)c1nsc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H13N3O2S/c1-5(2)7-6-8(14)12(3)10(15)13(4)9(6)16-11-7/h5H,1-4H3
InChIKeyKFPNYBCVNGQZMZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.82
Rot. Bonds1

About 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione

5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 67989896) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID67989896
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
SMILESCC(C)c1nsc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H13N3O2S/c1-5(2)7-6-8(14)12(3)10(15)13(4)9(6)16-11-7/h5H,1-4H3
InChIKeyKFPNYBCVNGQZMZ-UHFFFAOYSA-N
XLogP0.82
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione (CID 67989896) is 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione is CC(C)c1nsc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is KFPNYBCVNGQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5(2)7-6-8(14)12(3)10(15)13(4)9(6)16-11-7/h5H,1-4H3.
What are the key properties of 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione?
5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 239.30 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-propan-2-yl-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 67989896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).