[4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone

C29H22N2O2S — CID 134813912

IUPAC[4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyGCBYJNQEZBSRJO-UHFFFAOYSA-N
MW462.57 g/mol
LogP7.52
Rot. Bonds7

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

[4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 134813912) has the molecular formula C29H22N2O2S and a molecular weight of 462.57 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID134813912
Molecular FormulaC29H22N2O2S
Molecular Weight462.57 g/mol
Exact Mass462.14
IUPAC Name[4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCOc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3
InChIKeyGCBYJNQEZBSRJO-UHFFFAOYSA-N
XLogP7.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Amino-2-((4-methoxyphenyl)amino)-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399618
(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
A1AR antagonist 3
CID 129834603
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
[2-(1-Azepanyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl](phenyl)methanone
CID 4451465
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424
3-(2-Methoxyphenyl)-2-[2-(methylamino)-4-phenyl-1,3-thiazol-5-yl]quinazolin-4-one
CID 25017849
(4-Amino-2-anilino-1,3-thiazol-5-yl)-(2-methoxyphenyl)methanone
CID 44250181
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
5-benzyl-4-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-thiazol-2-amine
CID 72706311
[4-Amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 949998
N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 982689

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone (CID 134813912) is [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone is COc1ccc(-c2nc(N(c3ccccc3)c3ccccc3)sc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is GCBYJNQEZBSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2S/c1-33-25-19-17-21(18-20-25)26-28(27(32)22-11-5-2-6-12-22)34-29(30-26)31(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3.
What are the key properties of [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 462.57 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 134813912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).