2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide

C11H19N3O2S — CID 75423120

IUPAC2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
SMILESCOCc1nc(CN(CC(N)=O)C(C)C)cs1
InChIInChI=1S/C11H19N3O2S/c1-8(2)14(5-10(12)15)4-9-7-17-11(13-9)6-16-3/h7-8H,4-6H2,1-3H3,(H2,12,15)
InChIKeyISVKWOYMFGGLOH-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.99
Rot. Bonds7

About 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide

2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide (PubChem CID 75423120) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
PubChem CID75423120
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
SMILESCOCc1nc(CN(CC(N)=O)C(C)C)cs1
InChIInChI=1S/C11H19N3O2S/c1-8(2)14(5-10(12)15)4-9-7-17-11(13-9)6-16-3/h7-8H,4-6H2,1-3H3,(H2,12,15)
InChIKeyISVKWOYMFGGLOH-UHFFFAOYSA-N
XLogP0.99
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide (CID 75423120) is 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide is COCc1nc(CN(CC(N)=O)C(C)C)cs1.
What is the InChIKey of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
The InChIKey is ISVKWOYMFGGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)14(5-10(12)15)4-9-7-17-11(13-9)6-16-3/h7-8H,4-6H2,1-3H3,(H2,12,15).
What are the key properties of 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide?
2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 75423120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).