3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C8H5N2O3S- — CID 7217047

IUPAC3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCc1csc2ncc(C(=O)[O-])c(=O)n12
InChIInChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)/p-1
InChIKeySLUJXUKOGZUFLT-UHFFFAOYSA-M
MW209.21 g/mol
LogP-0.57
Rot. Bonds1

About 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 7217047) has the molecular formula C8H5N2O3S- and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID7217047
Molecular FormulaC8H5N2O3S-
Molecular Weight209.21 g/mol
Exact Mass209.00
IUPAC Name3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCc1csc2ncc(C(=O)[O-])c(=O)n12
InChIInChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)/p-1
InChIKeySLUJXUKOGZUFLT-UHFFFAOYSA-M
XLogP-0.57
TPSA74.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 7217047) is 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is Cc1csc2ncc(C(=O)[O-])c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is SLUJXUKOGZUFLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)/p-1.
What are the key properties of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 209.21 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 7217047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).