2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide

C17H18N4O2S — CID 2523532

IUPAC2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-12-3-5-13(6-4-12)18-15(22)11-20(2)10-14-9-16(23)21-7-8-24-17(21)19-14/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyNNAUVFWBGSBEQC-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.13
Rot. Bonds5

About 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 2523532) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID2523532
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-12-3-5-13(6-4-12)18-15(22)11-20(2)10-14-9-16(23)21-7-8-24-17(21)19-14/h3-9H,10-11H2,1-2H3,(H,18,22)
InChIKeyNNAUVFWBGSBEQC-UHFFFAOYSA-N
XLogP2.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide (CID 2523532) is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2cc(=O)n3ccsc3n2)cc1.
What is the InChIKey of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is NNAUVFWBGSBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-3-5-13(6-4-12)18-15(22)11-20(2)10-14-9-16(23)21-7-8-24-17(21)19-14/h3-9H,10-11H2,1-2H3,(H,18,22).
What are the key properties of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2523532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).