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

C32H30FN3O2S — CID 3529897

IUPAC2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccccc2F)n1
InChIInChI=1S/C32H30FN3O2S/c33-29-16-8-7-14-26(29)21-36(18-17-28(24-10-3-1-4-11-24)25-12-5-2-6-13-25)22-31-35-30(23-39-31)32(37)34-20-27-15-9-19-38-27/h1-16,19,23,28H,17-18,20-22H2,(H,34,37)
InChIKeyNXRLMFPZHVLELH-UHFFFAOYSA-N
MW539.68 g/mol
LogP7.03
Rot. Bonds12

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

2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 3529897) has the molecular formula C32H30FN3O2S and a molecular weight of 539.68 g/mol. Its IUPAC name is 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID3529897
Molecular FormulaC32H30FN3O2S
Molecular Weight539.68 g/mol
Exact Mass539.20
IUPAC Name2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccccc2F)n1
InChIInChI=1S/C32H30FN3O2S/c33-29-16-8-7-14-26(29)21-36(18-17-28(24-10-3-1-4-11-24)25-12-5-2-6-13-25)22-31-35-30(23-39-31)32(37)34-20-27-15-9-19-38-27/h1-16,19,23,28H,17-18,20-22H2,(H,34,37)
InChIKeyNXRLMFPZHVLELH-UHFFFAOYSA-N
XLogP7.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4573467
2-[[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417949
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-[[3,3-diphenylpropyl-[(4-methylphenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3962457
2-[[(4-tert-butylphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 5022254
2-[[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 5025260
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
2-[[decanoyl(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3956928
2-[[1,3-benzodioxol-5-ylmethyl(3,3-diphenylpropyl)amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 5212591
2-[[(4-tert-butylbenzoyl)-(furan-2-ylmethyl)amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1196035

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 3529897) is 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccccc2F)n1.
What is the InChIKey of 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NXRLMFPZHVLELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O2S/c33-29-16-8-7-14-26(29)21-36(18-17-28(24-10-3-1-4-11-24)25-12-5-2-6-13-25)22-31-35-30(23-39-31)32(37)34-20-27-15-9-19-38-27/h1-16,19,23,28H,17-18,20-22H2,(H,34,37).
What are the key properties of 2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[[3,3-diphenylpropyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 539.68 g/mol, XLogP of 7.03, 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-[(2-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3529897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).