4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

C24H21N3O3S — CID 5178891

IUPAC4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccc(OC)c4)n3)cc2)cc1
InChIInChI=1S/C24H21N3O3S/c1-29-20-12-8-17(9-13-20)23(28)25-18-10-6-16(7-11-18)22-15-31-24(27-22)26-19-4-3-5-21(14-19)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyRBHKGOVZTATHMZ-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.82
Rot. Bonds7

About 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide

4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 5178891) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID5178891
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccc(OC)c4)n3)cc2)cc1
InChIInChI=1S/C24H21N3O3S/c1-29-20-12-8-17(9-13-20)23(28)25-18-10-6-16(7-11-18)22-15-31-24(27-22)26-19-4-3-5-21(14-19)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyRBHKGOVZTATHMZ-UHFFFAOYSA-N
XLogP5.82
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 5178891) is 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccc(OC)c4)n3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is RBHKGOVZTATHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-29-20-12-8-17(9-13-20)23(28)25-18-10-6-16(7-11-18)22-15-31-24(27-22)26-19-4-3-5-21(14-19)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 431.52 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 5178891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).