[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone

C32H28N2O3S — CID 135139835

IUPAC[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C32H28N2O3S/c1-36-27-17-13-23(14-18-27)21-34(22-24-15-19-28(37-2)20-16-24)32-33-29(25-9-5-3-6-10-25)31(38-32)30(35)26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3
InChIKeyFTZWCYURIWOQAR-UHFFFAOYSA-N
MW520.65 g/mol
LogP7.27
Rot. Bonds10

About [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone

[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 135139835) has the molecular formula C32H28N2O3S and a molecular weight of 520.65 g/mol. Its IUPAC name is [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID135139835
Molecular FormulaC32H28N2O3S
Molecular Weight520.65 g/mol
Exact Mass520.18
IUPAC Name[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C32H28N2O3S/c1-36-27-17-13-23(14-18-27)21-34(22-24-15-19-28(37-2)20-16-24)32-33-29(25-9-5-3-6-10-25)31(38-32)30(35)26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3
InChIKeyFTZWCYURIWOQAR-UHFFFAOYSA-N
XLogP7.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[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
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
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
2-[[4-[[benzyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid
CID 23823594
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248
[2-[butyl-[(4-hydroxycyclohexa-1,5-dien-1-yl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 70287498
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-prop-2-enylbenzamide
CID 4044271
(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
CID 147321417
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
N-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 2332200
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991

Frequently Asked Questions

What is the IUPAC name of [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone (CID 135139835) is [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is FTZWCYURIWOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3S/c1-36-27-17-13-23(14-18-27)21-34(22-24-15-19-28(37-2)20-16-24)32-33-29(25-9-5-3-6-10-25)31(38-32)30(35)26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3.
What are the key properties of [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone?
[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 520.65 g/mol, XLogP of 7.27, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 135139835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).