4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide

C33H35N3O2S — CID 142249323

IUPAC4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCC(C)N(Cc1ccc(C=O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)cs1
InChIInChI=1S/C33H35N3O2S/c1-23(2)36(20-24-8-10-25(21-37)11-9-24)33-35-31(22-39-33)28-16-18-30(19-17-28)34-32(38)29-14-12-27(13-15-29)26-6-4-3-5-7-26/h8-19,21-23,26H,3-7,20H2,1-2H3,(H,34,38)
InChIKeyCUSLKRYTGDMGCX-UHFFFAOYSA-N
MW537.73 g/mol
LogP8.34
Rot. Bonds9

About 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide

4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 142249323) has the molecular formula C33H35N3O2S and a molecular weight of 537.73 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID142249323
Molecular FormulaC33H35N3O2S
Molecular Weight537.73 g/mol
Exact Mass537.24
IUPAC Name4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCC(C)N(Cc1ccc(C=O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)cs1
InChIInChI=1S/C33H35N3O2S/c1-23(2)36(20-24-8-10-25(21-37)11-9-24)33-35-31(22-39-33)28-16-18-30(19-17-28)34-32(38)29-14-12-27(13-15-29)26-6-4-3-5-7-26/h8-19,21-23,26H,3-7,20H2,1-2H3,(H,34,38)
InChIKeyCUSLKRYTGDMGCX-UHFFFAOYSA-N
XLogP8.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.73
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide 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

4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 142249348
4-[2-[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 23023955
4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid;hydrochloride
CID 69498146
methyl 4-[[[4-(4-aminophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoate;methyl 4-[[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoate
CID 159109586
sodium 4-[[[4-[4-[(4-cyclohexylphenyl)methyl-methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoate
CID 23719067
sodium 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoate
CID 23719064
3-[[4-[(N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-cyclohexylanilino)methyl]benzoyl]amino]propanoic acid
CID 22496509
4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 10239323
ethyl 4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]-methylamino]benzoate;ethyl 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoate
CID 158568690
4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoic acid;ethyl 4-[[4-[4-[(4-cyclohexylphenyl)methylamino]phenyl]-1,3-thiazol-2-yl]-methylamino]benzoate
CID 160564337
3-[[4-[(N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-cyclohexylanilino)methyl]benzoyl]amino]propanoic acid
CID 22496497
4-[[[4-[6-[(4-cyclohexylphenyl)methyl-methylamino]-3-pyridinyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 23023872

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 142249323) is 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide is CC(C)N(Cc1ccc(C=O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc2)cs1.
What is the InChIKey of 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is CUSLKRYTGDMGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O2S/c1-23(2)36(20-24-8-10-25(21-37)11-9-24)33-35-31(22-39-33)28-16-18-30(19-17-28)34-32(38)29-14-12-27(13-15-29)26-6-4-3-5-7-26/h8-19,21-23,26H,3-7,20H2,1-2H3,(H,34,38).
What are the key properties of 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide?
4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 537.73 g/mol, XLogP of 8.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 142249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).