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

C23H19N3O2S — CID 3265729

IUPACN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1
InChIInChI=1S/C23H19N3O2S/c1-28-20-9-5-8-19(14-20)25-23-26-21(15-29-23)16-10-12-18(13-11-16)24-22(27)17-6-3-2-4-7-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyQCSPLUPZDWDSPU-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.81
Rot. Bonds6

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

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3265729) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3265729
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1
InChIInChI=1S/C23H19N3O2S/c1-28-20-9-5-8-19(14-20)25-23-26-21(15-29-23)16-10-12-18(13-11-16)24-22(27)17-6-3-2-4-7-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyQCSPLUPZDWDSPU-UHFFFAOYSA-N
XLogP5.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
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]-2-phenylacetamide
CID 5037390
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3265729) is N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is COc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is QCSPLUPZDWDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-28-20-9-5-8-19(14-20)25-23-26-21(15-29-23)16-10-12-18(13-11-16)24-22(27)17-6-3-2-4-7-17/h2-15H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3265729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).