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

C12H9N5O2S — CID 3396190

IUPACN-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C12H9N5O2S/c1-7-2-3-13-11(15-7)16-9(18)8-6-14-12-17(10(8)19)4-5-20-12/h2-6H,1H3,(H,13,15,16,18)
InChIKeyWKLVFPFIRWSAOP-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.11
Rot. Bonds2

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

N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3396190) has the molecular formula C12H9N5O2S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3396190
Molecular FormulaC12H9N5O2S
Molecular Weight287.30 g/mol
Exact Mass287.05
IUPAC NameN-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C12H9N5O2S/c1-7-2-3-13-11(15-7)16-9(18)8-6-14-12-17(10(8)19)4-5-20-12/h2-6H,1H3,(H,13,15,16,18)
InChIKeyWKLVFPFIRWSAOP-UHFFFAOYSA-N
XLogP1.11
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3396190) is N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1ccnc(NC(=O)c2cnc3sccn3c2=O)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WKLVFPFIRWSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S/c1-7-2-3-13-11(15-7)16-9(18)8-6-14-12-17(10(8)19)4-5-20-12/h2-6H,1H3,(H,13,15,16,18).
What are the key properties of N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 287.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3396190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).