5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide

C15H18N2OS — CID 166195588

IUPAC5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)Nc2cncs2)cc1
InChIInChI=1S/C15H18N2OS/c1-12-6-8-13(9-7-12)4-2-3-5-14(18)17-15-10-16-11-19-15/h6-11H,2-5H2,1H3,(H,17,18)
InChIKeyVPTYARBDLPBXTQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.80
Rot. Bonds6

About 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide

5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide (PubChem CID 166195588) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide
PubChem CID166195588
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide
SMILESCc1ccc(CCCCC(=O)Nc2cncs2)cc1
InChIInChI=1S/C15H18N2OS/c1-12-6-8-13(9-7-12)4-2-3-5-14(18)17-15-10-16-11-19-15/h6-11H,2-5H2,1H3,(H,17,18)
InChIKeyVPTYARBDLPBXTQ-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 47242361
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
10-(4-methylphenyl)decanoic acid
CID 54262490
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
N-(1-amino-2-methylpropan-2-yl)-5-(4-methylphenyl)pentanamide
CID 119522094
N,3-bis(4-methylphenyl)propanamide
CID 19220434
5-(4-methylphenyl)pentanoyl 5-(4-methylphenyl)pentanoate
CID 91119269
6-(4-methylphenyl)hexanethioic S-acid
CID 177221439
methyl (2S)-2-[5-(4-methylphenyl)pentanoylamino]propanoate
CID 86865868
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
CID 178048626

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide?
The IUPAC name of 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide (CID 166195588) is 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide is Cc1ccc(CCCCC(=O)Nc2cncs2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide?
The InChIKey is VPTYARBDLPBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-6-8-13(9-7-12)4-2-3-5-14(18)17-15-10-16-11-19-15/h6-11H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide?
5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide has a molecular weight of 274.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide is sourced from PubChem (CID 166195588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).