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

C15H18N4O2S2 — CID 121122825

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CSc3ncc(C)c(=O)n32)s1
InChIInChI=1S/C15H18N4O2S2/c1-8-5-17-15-19(14(8)21)11(7-22-15)4-13(20)16-6-12-9(2)18-10(3)23-12/h5,11H,4,6-7H2,1-3H3,(H,16,20)
InChIKeyZEHBROMYMWZCHL-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.98
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 121122825) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID121122825
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)CC2CSc3ncc(C)c(=O)n32)s1
InChIInChI=1S/C15H18N4O2S2/c1-8-5-17-15-19(14(8)21)11(7-22-15)4-13(20)16-6-12-9(2)18-10(3)23-12/h5,11H,4,6-7H2,1-3H3,(H,16,20)
InChIKeyZEHBROMYMWZCHL-UHFFFAOYSA-N
XLogP1.98
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 121122825) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1nc(C)c(CNC(=O)CC2CSc3ncc(C)c(=O)n32)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is ZEHBROMYMWZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-8-5-17-15-19(14(8)21)11(7-22-15)4-13(20)16-6-12-9(2)18-10(3)23-12/h5,11H,4,6-7H2,1-3H3,(H,16,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 121122825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).