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

C24H19NO3S — CID 58659891

IUPAC[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2nc(C(=O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19NO3S/c1-27-19-12-8-16(9-13-19)21-23(18-10-14-20(28-2)15-11-18)29-24(25-21)22(26)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKeyYNGHMTMLBRSGRL-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.73
Rot. Bonds6

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

[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone (PubChem CID 58659891) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
PubChem CID58659891
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC Name[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCOc1ccc(-c2nc(C(=O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H19NO3S/c1-27-19-12-8-16(9-13-19)21-23(18-10-14-20(28-2)15-11-18)29-24(25-21)22(26)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKeyYNGHMTMLBRSGRL-UHFFFAOYSA-N
XLogP5.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
(4,5-dimethyl-1,3-thiazol-2-yl)-(4-methoxyphenyl)methanone
CID 102361640
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[2-[bis[(4-methoxyphenyl)methyl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 135139835
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(3-fluorophenyl)-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]methanone
CID 54198431
benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate
CID 157138479
4-[2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 22911826
4,5-bis(4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole
CID 15076241
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The IUPAC name of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone (CID 58659891) is [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The canonical SMILES for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone is COc1ccc(-c2nc(C(=O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
The InChIKey is YNGHMTMLBRSGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c1-27-19-12-8-16(9-13-19)21-23(18-10-14-20(28-2)15-11-18)29-24(25-21)22(26)17-6-4-3-5-7-17/h3-15H,1-2H3.
What are the key properties of [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone?
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone has a molecular weight of 401.49 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 58659891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).