4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

C12H20N2O2S — CID 56814376

IUPAC4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCOCCCC(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C12H20N2O2S/c1-4-16-7-5-6-12(15)14(3)9-11-8-13-10(2)17-11/h8H,4-7,9H2,1-3H3
InChIKeyXTAXJQSPKNDEFH-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.23
Rot. Bonds7

About 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide

4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 56814376) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID56814376
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCOCCCC(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C12H20N2O2S/c1-4-16-7-5-6-12(15)14(3)9-11-8-13-10(2)17-11/h8H,4-7,9H2,1-3H3
InChIKeyXTAXJQSPKNDEFH-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 56814376) is 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is CCOCCCC(=O)N(C)Cc1cnc(C)s1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is XTAXJQSPKNDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-16-7-5-6-12(15)14(3)9-11-8-13-10(2)17-11/h8H,4-7,9H2,1-3H3.
What are the key properties of 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide?
4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 256.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 56814376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).