2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide

C11H20N4O2S — CID 103361441

IUPAC2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1snc(N)c1OC(C)C
InChIInChI=1S/C11H20N4O2S/c1-5-13-8(16)6-15(4)11-9(17-7(2)3)10(12)14-18-11/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyJABNGCGUBJRKJO-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.08
Rot. Bonds6

About 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide

2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide (PubChem CID 103361441) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
PubChem CID103361441
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1snc(N)c1OC(C)C
InChIInChI=1S/C11H20N4O2S/c1-5-13-8(16)6-15(4)11-9(17-7(2)3)10(12)14-18-11/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyJABNGCGUBJRKJO-UHFFFAOYSA-N
XLogP1.08
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide (CID 103361441) is 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1snc(N)c1OC(C)C.
What is the InChIKey of 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
The InChIKey is JABNGCGUBJRKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-13-8(16)6-15(4)11-9(17-7(2)3)10(12)14-18-11/h7H,5-6H2,1-4H3,(H2,12,14)(H,13,16).
What are the key properties of 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide has a molecular weight of 272.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 103361441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).