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

C13H19N3O2S — CID 16867898

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(C)C
InChIInChI=1S/C13H19N3O2S/c1-8(2)6-14-11(17)5-10-7-19-13-15-9(3)4-12(18)16(10)13/h4,8,10H,5-7H2,1-3H3,(H,14,17)
InChIKeyMHPIZVUINVLBLE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.36
Rot. Bonds4

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

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 16867898) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID16867898
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCC(C)C
InChIInChI=1S/C13H19N3O2S/c1-8(2)6-14-11(17)5-10-7-19-13-15-9(3)4-12(18)16(10)13/h4,8,10H,5-7H2,1-3H3,(H,14,17)
InChIKeyMHPIZVUINVLBLE-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide (CID 16867898) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NCC(C)C.
What is the InChIKey of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is MHPIZVUINVLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(2)6-14-11(17)5-10-7-19-13-15-9(3)4-12(18)16(10)13/h4,8,10H,5-7H2,1-3H3,(H,14,17).
What are the key properties of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16867898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).