3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H11N5O2S — CID 5006851

IUPAC3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C13H11N5O2S/c1-7-3-4-14-12(16-7)17-10(19)9-5-15-13-18(11(9)20)8(2)6-21-13/h3-6H,1-2H3,(H,14,16,17,19)
InChIKeyOXBXNUDDXDCKFF-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.42
Rot. Bonds2

About 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5006851) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID5006851
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3scc(C)n3c2=O)n1
InChIInChI=1S/C13H11N5O2S/c1-7-3-4-14-12(16-7)17-10(19)9-5-15-13-18(11(9)20)8(2)6-21-13/h3-6H,1-2H3,(H,14,16,17,19)
InChIKeyOXBXNUDDXDCKFF-UHFFFAOYSA-N
XLogP1.42
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5006851) is 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1ccnc(NC(=O)c2cnc3scc(C)n3c2=O)n1.
What is the InChIKey of 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OXBXNUDDXDCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-7-3-4-14-12(16-7)17-10(19)9-5-15-13-18(11(9)20)8(2)6-21-13/h3-6H,1-2H3,(H,14,16,17,19).
What are the key properties of 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5006851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).