N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H22N2O3S — CID 60538070

IUPACN-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOCCCN(CCOC)C(=O)Cc1csc(C)n1
InChIInChI=1S/C13H22N2O3S/c1-11-14-12(10-19-11)9-13(16)15(6-8-18-3)5-4-7-17-2/h10H,4-9H2,1-3H3
InChIKeyGHPZXTIVRYWGQC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.51
Rot. Bonds9

About N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 60538070) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID60538070
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOCCCN(CCOC)C(=O)Cc1csc(C)n1
InChIInChI=1S/C13H22N2O3S/c1-11-14-12(10-19-11)9-13(16)15(6-8-18-3)5-4-7-17-2/h10H,4-9H2,1-3H3
InChIKeyGHPZXTIVRYWGQC-UHFFFAOYSA-N
XLogP1.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 60538070) is N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COCCCN(CCOC)C(=O)Cc1csc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GHPZXTIVRYWGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11-14-12(10-19-11)9-13(16)15(6-8-18-3)5-4-7-17-2/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 1.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 60538070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).