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

C12H17N3O2S — CID 16867741

IUPACN-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)CNC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-8(2)6-14-10(16)5-9-7-18-12-13-4-3-11(17)15(9)12/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)
InChIKeyLSYWUEWZJQKEOP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.05
Rot. Bonds4

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

N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16867741) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16867741
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)CNC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-8(2)6-14-10(16)5-9-7-18-12-13-4-3-11(17)15(9)12/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)
InChIKeyLSYWUEWZJQKEOP-UHFFFAOYSA-N
XLogP1.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16867741) is N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(C)CNC(=O)CC1CSc2nccc(=O)n21.
What is the InChIKey of N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is LSYWUEWZJQKEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(2)6-14-10(16)5-9-7-18-12-13-4-3-11(17)15(9)12/h3-4,8-9H,5-7H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16867741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).