phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone

C28H20N2OS — CID 102420366

IUPACphenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H20N2OS/c31-26(22-15-7-2-8-16-22)27-25(21-13-5-1-6-14-21)29-28(32-27)30(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyHMAWQUZSROGHLW-UHFFFAOYSA-N
MW432.55 g/mol
LogP7.51
Rot. Bonds6

About phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone

phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone (PubChem CID 102420366) has the molecular formula C28H20N2OS and a molecular weight of 432.55 g/mol. Its IUPAC name is phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
PubChem CID102420366
Molecular FormulaC28H20N2OS
Molecular Weight432.55 g/mol
Exact Mass432.13
IUPAC Namephenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H20N2OS/c31-26(22-15-7-2-8-16-22)27-25(21-13-5-1-6-14-21)29-28(32-27)30(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyHMAWQUZSROGHLW-UHFFFAOYSA-N
XLogP7.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 135139835
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
[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
(2-naphthalen-2-yl-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
CID 147321417
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 90798676
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401
5-benzoyl-2-[2-[(2-ethoxy-2-oxoethyl)amino]ethyl-sulfinoamino]-4-phenyl-1,3-thiazole
CID 69036537
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
CID 43980889

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone (CID 102420366) is phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone is O=C(c1ccccc1)c1sc(N(c2ccccc2)c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone?
The InChIKey is HMAWQUZSROGHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2OS/c31-26(22-15-7-2-8-16-22)27-25(21-13-5-1-6-14-21)29-28(32-27)30(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone?
phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone has a molecular weight of 432.55 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-phenyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 102420366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).