2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

C33H33N3O2S — CID 5163620

IUPAC2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C33H33N3O2S/c1-25-14-16-26(17-15-25)22-36(19-18-30(27-9-4-2-5-10-27)28-11-6-3-7-12-28)23-32-35-31(24-39-32)33(37)34-21-29-13-8-20-38-29/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,34,37)
InChIKeyKKFGFNCNJXZWSV-UHFFFAOYSA-N
MW535.71 g/mol
LogP7.20
Rot. Bonds12

About 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide

2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 5163620) has the molecular formula C33H33N3O2S and a molecular weight of 535.71 g/mol. Its IUPAC name is 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID5163620
Molecular FormulaC33H33N3O2S
Molecular Weight535.71 g/mol
Exact Mass535.23
IUPAC Name2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCc3ccco3)cs2)cc1
InChIInChI=1S/C33H33N3O2S/c1-25-14-16-26(17-15-25)22-36(19-18-30(27-9-4-2-5-10-27)28-11-6-3-7-12-28)23-32-35-31(24-39-32)33(37)34-21-29-13-8-20-38-29/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,34,37)
InChIKeyKKFGFNCNJXZWSV-UHFFFAOYSA-N
XLogP7.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.71
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-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

2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3529897
2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3962457
2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4573467
2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 5022254
N-butyl-2-[[(4-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3924207
2-[[(4-chlorophenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide
CID 42780781
2-[[5-benzyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42769754
2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3956928
2-[[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1196035
2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 5212591
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833087
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5025260

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 5163620) is 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCc3ccco3)cs2)cc1.
What is the InChIKey of 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KKFGFNCNJXZWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2S/c1-25-14-16-26(17-15-25)22-36(19-18-30(27-9-4-2-5-10-27)28-11-6-3-7-12-28)23-32-35-31(24-39-32)33(37)34-21-29-13-8-20-38-29/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,34,37).
What are the key properties of 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 535.71 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5163620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).