N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide

C11H18N2O2S — CID 22170530

IUPACN-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(CCCOC)s1
InChIInChI=1S/C11H18N2O2S/c1-3-5-10(14)13-11-12-8-9(16-11)6-4-7-15-2/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyLVGWKOFNAAAXIP-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.46
Rot. Bonds7

About N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide

N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 22170530) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide
PubChem CID22170530
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(CCCOC)s1
InChIInChI=1S/C11H18N2O2S/c1-3-5-10(14)13-11-12-8-9(16-11)6-4-7-15-2/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyLVGWKOFNAAAXIP-UHFFFAOYSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
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 N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide (CID 22170530) is N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1ncc(CCCOC)s1.
What is the InChIKey of N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is LVGWKOFNAAAXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-5-10(14)13-11-12-8-9(16-11)6-4-7-15-2/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide?
N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 242.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 22170530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).