2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide

C21H21FN2O3S — CID 3170719

IUPAC2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C21H21FN2O3S/c1-26-13-5-12-24(20(25)17-6-3-4-7-18(17)22)21-23-19(14-28-21)15-8-10-16(27-2)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyIAXMUDYKLJONCY-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.64
Rot. Bonds8

About 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide

2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide (PubChem CID 3170719) has the molecular formula C21H21FN2O3S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide
PubChem CID3170719
Molecular FormulaC21H21FN2O3S
Molecular Weight400.48 g/mol
Exact Mass400.13
IUPAC Name2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C21H21FN2O3S/c1-26-13-5-12-24(20(25)17-6-3-4-7-18(17)22)21-23-19(14-28-21)15-8-10-16(27-2)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyIAXMUDYKLJONCY-UHFFFAOYSA-N
XLogP4.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.64
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 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide (CID 3170719) is 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide is COCCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide?
The InChIKey is IAXMUDYKLJONCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3S/c1-26-13-5-12-24(20(25)17-6-3-4-7-18(17)22)21-23-19(14-28-21)15-8-10-16(27-2)11-9-15/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide?
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 3170719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).