N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide

C16H19N3O2S — CID 2981149

IUPACN-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2SC3=NCCCN3C2=O)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-10-4-5-12(11(2)8-10)18-14(20)9-13-15(21)19-7-3-6-17-16(19)22-13/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,20)
InChIKeyYCBMVHAEPCYPLC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.34
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide

N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide (PubChem CID 2981149) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
PubChem CID2981149
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2SC3=NCCCN3C2=O)c(C)c1
InChIInChI=1S/C16H19N3O2S/c1-10-4-5-12(11(2)8-10)18-14(20)9-13-15(21)19-7-3-6-17-16(19)22-13/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,20)
InChIKeyYCBMVHAEPCYPLC-UHFFFAOYSA-N
XLogP2.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide (CID 2981149) is N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide is Cc1ccc(NC(=O)CC2SC3=NCCCN3C2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
The InChIKey is YCBMVHAEPCYPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-4-5-12(11(2)8-10)18-14(20)9-13-15(21)19-7-3-6-17-16(19)22-13/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 2981149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).