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

C34H35N3O4S — CID 4573467

IUPAC2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCc3ccco3)cs2)c(OC)c1
InChIInChI=1S/C34H35N3O4S/c1-39-28-16-15-27(32(20-28)40-2)22-37(18-17-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26)23-33-36-31(24-42-33)34(38)35-21-29-14-9-19-41-29/h3-16,19-20,24,30H,17-18,21-23H2,1-2H3,(H,35,38)
InChIKeyTUZMGHKPQSLVNB-UHFFFAOYSA-N
MW581.74 g/mol
LogP6.91
Rot. Bonds14

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

2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 4573467) has the molecular formula C34H35N3O4S and a molecular weight of 581.74 g/mol. Its IUPAC name is 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID4573467
Molecular FormulaC34H35N3O4S
Molecular Weight581.74 g/mol
Exact Mass581.23
IUPAC Name2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCc3ccco3)cs2)c(OC)c1
InChIInChI=1S/C34H35N3O4S/c1-39-28-16-15-27(32(20-28)40-2)22-37(18-17-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26)23-33-36-31(24-42-33)34(38)35-21-29-14-9-19-41-29/h3-16,19-20,24,30H,17-18,21-23H2,1-2H3,(H,35,38)
InChIKeyTUZMGHKPQSLVNB-UHFFFAOYSA-N
XLogP6.91
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.74
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5163620
[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 3987278
N-benzyl-2-[[(2,4-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 42779145
N-benzhydryl-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4148596
2-[[(2,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 1030930
2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1032061
N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4679622
2-[[(2,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4639428
N-butan-2-yl-2-[[(2,4-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233208
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 1030933
2-[[(2,4-dimethoxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(1,2-diphenylethyl)-1,3-thiazole-4-carboxamide
CID 3375784

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 4573467) is 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is COc1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCc3ccco3)cs2)c(OC)c1.
What is the InChIKey of 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is TUZMGHKPQSLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O4S/c1-39-28-16-15-27(32(20-28)40-2)22-37(18-17-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26)23-33-36-31(24-42-33)34(38)35-21-29-14-9-19-41-29/h3-16,19-20,24,30H,17-18,21-23H2,1-2H3,(H,35,38).
What are the key properties of 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 581.74 g/mol, XLogP of 6.91, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 4573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).