N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

C11H19N3O2S — CID 54956766

IUPACN-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCOCC(C)NC(=O)CNCc1cnc(C)s1
InChIInChI=1S/C11H19N3O2S/c1-8(7-16-3)14-11(15)6-12-4-10-5-13-9(2)17-10/h5,8,12H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyARAMFAQJCQJFGV-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.69
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide

N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (PubChem CID 54956766) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
PubChem CID54956766
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
SMILESCOCC(C)NC(=O)CNCc1cnc(C)s1
InChIInChI=1S/C11H19N3O2S/c1-8(7-16-3)14-11(15)6-12-4-10-5-13-9(2)17-10/h5,8,12H,4,6-7H2,1-3H3,(H,14,15)
InChIKeyARAMFAQJCQJFGV-UHFFFAOYSA-N
XLogP0.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide (CID 54956766) is N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is COCC(C)NC(=O)CNCc1cnc(C)s1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
The InChIKey is ARAMFAQJCQJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(7-16-3)14-11(15)6-12-4-10-5-13-9(2)17-10/h5,8,12H,4,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide?
N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide has a molecular weight of 257.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 54956766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).