2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide

C13H12N4O2S2 — CID 16802450

IUPAC2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(C)nc3sccn3c2=O)s1
InChIInChI=1S/C13H12N4O2S2/c1-6-9(12(19)17-4-5-20-13(17)15-6)16-11(18)10-7(2)14-8(3)21-10/h4-5H,1-3H3,(H,16,18)
InChIKeyIYYJSBTZENPISK-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.39
Rot. Bonds2

About 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide (PubChem CID 16802450) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide
PubChem CID16802450
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(C)nc3sccn3c2=O)s1
InChIInChI=1S/C13H12N4O2S2/c1-6-9(12(19)17-4-5-20-13(17)15-6)16-11(18)10-7(2)14-8(3)21-10/h4-5H,1-3H3,(H,16,18)
InChIKeyIYYJSBTZENPISK-UHFFFAOYSA-N
XLogP2.39
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide (CID 16802450) is 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2c(C)nc3sccn3c2=O)s1.
What is the InChIKey of 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IYYJSBTZENPISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-6-9(12(19)17-4-5-20-13(17)15-6)16-11(18)10-7(2)14-8(3)21-10/h4-5H,1-3H3,(H,16,18).
What are the key properties of 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16802450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).