2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide

C8H13N3O2S — CID 3149563

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1SC(N)=NC1=O
InChIInChI=1S/C8H13N3O2S/c1-4(2)10-6(12)3-5-7(13)11-8(9)14-5/h4-5H,3H2,1-2H3,(H,10,12)(H2,9,11,13)
InChIKeyTXIZMUCGZPPCEY-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.14
Rot. Bonds3

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 3149563) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
PubChem CID3149563
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1SC(N)=NC1=O
InChIInChI=1S/C8H13N3O2S/c1-4(2)10-6(12)3-5-7(13)11-8(9)14-5/h4-5H,3H2,1-2H3,(H,10,12)(H2,9,11,13)
InChIKeyTXIZMUCGZPPCEY-UHFFFAOYSA-N
XLogP-0.14
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide (CID 3149563) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1SC(N)=NC1=O.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is TXIZMUCGZPPCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4(2)10-6(12)3-5-7(13)11-8(9)14-5/h4-5H,3H2,1-2H3,(H,10,12)(H2,9,11,13).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 215.28 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 3149563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).