2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide

C28H31N3O2S — CID 59209919

IUPAC2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESC=CCCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(C)cc3)cs2)CC1
InChIInChI=1S/C28H31N3O2S/c1-3-4-5-10-26(32)31-17-15-22(16-18-31)28-30-25(19-34-28)27(33)29-24-9-7-6-8-23(24)21-13-11-20(2)12-14-21/h3,6-9,11-14,19,22H,1,4-5,10,15-18H2,2H3,(H,29,33)
InChIKeyLSMUOSRUXNWZIJ-UHFFFAOYSA-N
MW473.64 g/mol
LogP6.43
Rot. Bonds8

About 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide

2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59209919) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59209919
Molecular FormulaC28H31N3O2S
Molecular Weight473.64 g/mol
Exact Mass473.21
IUPAC Name2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESC=CCCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(C)cc3)cs2)CC1
InChIInChI=1S/C28H31N3O2S/c1-3-4-5-10-26(32)31-17-15-22(16-18-31)28-30-25(19-34-28)27(33)29-24-9-7-6-8-23(24)21-13-11-20(2)12-14-21/h3,6-9,11-14,19,22H,1,4-5,10,15-18H2,2H3,(H,29,33)
InChIKeyLSMUOSRUXNWZIJ-UHFFFAOYSA-N
XLogP6.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209028
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-hex-5-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209724
2-[1-[3-(2,3-dihydrothiophen-2-yl)propanoyl]piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70908044
methyl N-[3-[4-[4-[[2-(4-methylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-prop-1-en-2-ylcarbamodithioate
CID 142982944
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
N-[2-(4-fluorophenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209865
N-(2-phenylphenyl)-2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209378
N-[2-(4-ethylphenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209045
N-[2-(4-ethylphenyl)phenyl]-2-[1-(2-ethylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209367
N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 142983144

Frequently Asked Questions

What is the IUPAC name of 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide (CID 59209919) is 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide is C=CCCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(C)cc3)cs2)CC1.
What is the InChIKey of 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LSMUOSRUXNWZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S/c1-3-4-5-10-26(32)31-17-15-22(16-18-31)28-30-25(19-34-28)27(33)29-24-9-7-6-8-23(24)21-13-11-20(2)12-14-21/h3,6-9,11-14,19,22H,1,4-5,10,15-18H2,2H3,(H,29,33).
What are the key properties of 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).