[2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone

C50H42N4O2S2 — CID 25146831

IUPAC[2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
SMILESCc1ccc(CN(CCN(Cc2ccc(C)cc2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C50H42N4O2S2/c1-35-23-27-37(28-24-35)33-53(49-51-43(39-15-7-3-8-16-39)47(57-49)45(55)41-19-11-5-12-20-41)31-32-54(34-38-29-25-36(2)26-30-38)50-52-44(40-17-9-4-10-18-40)48(58-50)46(56)42-21-13-6-14-22-42/h3-30H,31-34H2,1-2H3
InChIKeyYDEBWIJEWVQJEG-UHFFFAOYSA-N
MW795.05 g/mol
LogP11.73
Rot. Bonds15

About [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone

[2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 25146831) has the molecular formula C50H42N4O2S2 and a molecular weight of 795.05 g/mol. Its IUPAC name is [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID25146831
Molecular FormulaC50H42N4O2S2
Molecular Weight795.05 g/mol
Exact Mass794.27
IUPAC Name[2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
SMILESCc1ccc(CN(CCN(Cc2ccc(C)cc2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C50H42N4O2S2/c1-35-23-27-37(28-24-35)33-53(49-51-43(39-15-7-3-8-16-39)47(57-49)45(55)41-19-11-5-12-20-41)31-32-54(34-38-29-25-36(2)26-30-38)50-52-44(40-17-9-4-10-18-40)48(58-50)46(56)42-21-13-6-14-22-42/h3-30H,31-34H2,1-2H3
InChIKeyYDEBWIJEWVQJEG-UHFFFAOYSA-N
XLogP11.73
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.05
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone with MolForge

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Related Compounds

[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 135139835
phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
CID 102420366
methyl 4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoate
CID 67146155
[2-[butyl-[(4-hydroxycyclohexa-1,5-dien-1-yl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 70287498
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41151832
2-[[4-[[benzyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid
CID 23823594
5-benzoyl-2-[2-[(2-ethoxy-2-oxoethyl)amino]ethyl-sulfinoamino]-4-phenyl-1,3-thiazole
CID 69036537
3-[benzyl-[4-[4-(4-fluorophenyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 156849398
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
CID 147321417
2-[[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]acetic acid
CID 23990867

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone (CID 25146831) is [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is Cc1ccc(CN(CCN(Cc2ccc(C)cc2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is YDEBWIJEWVQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O2S2/c1-35-23-27-37(28-24-35)33-53(49-51-43(39-15-7-3-8-16-39)47(57-49)45(55)41-19-11-5-12-20-41)31-32-54(34-38-29-25-36(2)26-30-38)50-52-44(40-17-9-4-10-18-40)48(58-50)46(56)42-21-13-6-14-22-42/h3-30H,31-34H2,1-2H3.
What are the key properties of [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
[2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 795.05 g/mol, XLogP of 11.73, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-[(4-methylphenyl)methyl]amino]ethyl-[(4-methylphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 25146831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).