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

C7H11N3O2S — CID 3153989

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1SC(N)=NC1=O
InChIInChI=1S/C7H11N3O2S/c1-2-9-5(11)3-4-6(12)10-7(8)13-4/h4H,2-3H2,1H3,(H,9,11)(H2,8,10,12)
InChIKeyQRUSFYPMTHMDIU-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.53
Rot. Bonds3

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

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide (PubChem CID 3153989) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide
PubChem CID3153989
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1SC(N)=NC1=O
InChIInChI=1S/C7H11N3O2S/c1-2-9-5(11)3-4-6(12)10-7(8)13-4/h4H,2-3H2,1H3,(H,9,11)(H2,8,10,12)
InChIKeyQRUSFYPMTHMDIU-UHFFFAOYSA-N
XLogP-0.53
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.53
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-ethylacetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide (CID 3153989) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide is CCNC(=O)CC1SC(N)=NC1=O.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide?
The InChIKey is QRUSFYPMTHMDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-2-9-5(11)3-4-6(12)10-7(8)13-4/h4H,2-3H2,1H3,(H,9,11)(H2,8,10,12).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-ethylacetamide has a molecular weight of 201.25 g/mol, XLogP of -0.53, 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-ethylacetamide is sourced from PubChem (CID 3153989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).