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

C15H18N2O2S — CID 655052

IUPACN-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCCN(C(C)=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2O2S/c1-12(18)17(9-6-10-19-2)15-16-14(11-20-15)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyDATWWTDLSSRZRK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.20
Rot. Bonds6

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

N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 655052) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID655052
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCOCCCN(C(C)=O)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H18N2O2S/c1-12(18)17(9-6-10-19-2)15-16-14(11-20-15)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyDATWWTDLSSRZRK-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.20
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 N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 655052) is N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is COCCCN(C(C)=O)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DATWWTDLSSRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12(18)17(9-6-10-19-2)15-16-14(11-20-15)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 655052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).