5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide

C17H23N3OS — CID 141278805

IUPAC5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCCCCCCN(C)c1sc(C(N)=O)nc1-c1ccccc1
InChIInChI=1S/C17H23N3OS/c1-3-4-5-9-12-20(2)17-14(13-10-7-6-8-11-13)19-16(22-17)15(18)21/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,18,21)
InChIKeyWYKPYSLGORPJEN-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.93
Rot. Bonds8

About 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide

5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 141278805) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide
PubChem CID141278805
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide
SMILESCCCCCCN(C)c1sc(C(N)=O)nc1-c1ccccc1
InChIInChI=1S/C17H23N3OS/c1-3-4-5-9-12-20(2)17-14(13-10-7-6-8-11-13)19-16(22-17)15(18)21/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,18,21)
InChIKeyWYKPYSLGORPJEN-UHFFFAOYSA-N
XLogP3.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.93
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 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide (CID 141278805) is 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide is CCCCCCN(C)c1sc(C(N)=O)nc1-c1ccccc1.
What is the InChIKey of 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is WYKPYSLGORPJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-4-5-9-12-20(2)17-14(13-10-7-6-8-11-13)19-16(22-17)15(18)21/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,18,21).
What are the key properties of 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide?
5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hexyl(methyl)amino]-4-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 141278805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).