N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

C13H16N4O2S — CID 45496970

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cnc(C(C)C)cc2=O)n1
InChIInChI=1S/C13H16N4O2S/c1-8(2)10-4-12(19)17(7-14-10)5-11(18)16-13-15-9(3)6-20-13/h4,6-8H,5H2,1-3H3,(H,15,16,18)
InChIKeySIMFLHALOSSTIO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.77
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 45496970) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID45496970
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1csc(NC(=O)Cn2cnc(C(C)C)cc2=O)n1
InChIInChI=1S/C13H16N4O2S/c1-8(2)10-4-12(19)17(7-14-10)5-11(18)16-13-15-9(3)6-20-13/h4,6-8H,5H2,1-3H3,(H,15,16,18)
InChIKeySIMFLHALOSSTIO-UHFFFAOYSA-N
XLogP1.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (CID 45496970) is N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is Cc1csc(NC(=O)Cn2cnc(C(C)C)cc2=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is SIMFLHALOSSTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8(2)10-4-12(19)17(7-14-10)5-11(18)16-13-15-9(3)6-20-13/h4,6-8H,5H2,1-3H3,(H,15,16,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 45496970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).