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

C16H19N5O2S — CID 122263511

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)ncn1
InChIInChI=1S/C16H19N5O2S/c1-9-4-12(19-8-18-9)6-17-14(22)5-13-7-24-16-20-11(3)10(2)15(23)21(13)16/h4,8,13H,5-7H2,1-3H3,(H,17,22)
InChIKeyQSGHJJHDBKEIKJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.31
Rot. Bonds4

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

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122263511) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID122263511
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)ncn1
InChIInChI=1S/C16H19N5O2S/c1-9-4-12(19-8-18-9)6-17-14(22)5-13-7-24-16-20-11(3)10(2)15(23)21(13)16/h4,8,13H,5-7H2,1-3H3,(H,17,22)
InChIKeyQSGHJJHDBKEIKJ-UHFFFAOYSA-N
XLogP1.31
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide (CID 122263511) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide is Cc1cc(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)ncn1.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is QSGHJJHDBKEIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-9-4-12(19-8-18-9)6-17-14(22)5-13-7-24-16-20-11(3)10(2)15(23)21(13)16/h4,8,13H,5-7H2,1-3H3,(H,17,22).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 345.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122263511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).