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

C12H17N3O2S — CID 16867742

IUPACN-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCC(C)NC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-3-8(2)14-10(16)6-9-7-18-12-13-5-4-11(17)15(9)12/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyLXGRYHDBRIRXAA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.19
Rot. Bonds4

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

N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16867742) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16867742
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCC(C)NC(=O)CC1CSc2nccc(=O)n21
InChIInChI=1S/C12H17N3O2S/c1-3-8(2)14-10(16)6-9-7-18-12-13-5-4-11(17)15(9)12/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyLXGRYHDBRIRXAA-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16867742) is N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCC(C)NC(=O)CC1CSc2nccc(=O)n21.
What is the InChIKey of N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is LXGRYHDBRIRXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-8(2)14-10(16)6-9-7-18-12-13-5-4-11(17)15(9)12/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-butan-2-yl-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 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16867742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).