2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H23N3O3S — CID 3449179

IUPAC2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)COC
InChIInChI=1S/C14H23N3O3S/c1-4-5-6-7-17(13(19)9-20-3)8-12(18)16-14-15-11(2)10-21-14/h10H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyWOMHKBWKQHYGLT-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.06
Rot. Bonds9

About 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3449179) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3449179
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)COC
InChIInChI=1S/C14H23N3O3S/c1-4-5-6-7-17(13(19)9-20-3)8-12(18)16-14-15-11(2)10-21-14/h10H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyWOMHKBWKQHYGLT-UHFFFAOYSA-N
XLogP2.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3449179) is 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)COC.
What is the InChIKey of 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WOMHKBWKQHYGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-5-6-7-17(13(19)9-20-3)8-12(18)16-14-15-11(2)10-21-14/h10H,4-9H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)-pentylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3449179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).