N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide

C23H17Cl2N3O2S — CID 3654854

IUPACN-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C23H17Cl2N3O2S/c1-30-21-8-3-2-7-17(21)22(29)26-16-6-4-5-14(11-16)20-13-31-23(28-20)27-19-10-9-15(24)12-18(19)25/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyLPXRQCVHQATKAL-UHFFFAOYSA-N
MW470.38 g/mol
LogP7.12
Rot. Bonds6

About N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide

N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide (PubChem CID 3654854) has the molecular formula C23H17Cl2N3O2S and a molecular weight of 470.38 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
PubChem CID3654854
Molecular FormulaC23H17Cl2N3O2S
Molecular Weight470.38 g/mol
Exact Mass469.04
IUPAC NameN-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C23H17Cl2N3O2S/c1-30-21-8-3-2-7-17(21)22(29)26-16-6-4-5-14(11-16)20-13-31-23(28-20)27-19-10-9-15(24)12-18(19)25/h2-13H,1H3,(H,26,29)(H,27,28)
InChIKeyLPXRQCVHQATKAL-UHFFFAOYSA-N
XLogP7.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.38
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 100801615

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide (CID 3654854) is N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc(-c2csc(Nc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide?
The InChIKey is LPXRQCVHQATKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2S/c1-30-21-8-3-2-7-17(21)22(29)26-16-6-4-5-14(11-16)20-13-31-23(28-20)27-19-10-9-15(24)12-18(19)25/h2-13H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide?
N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide has a molecular weight of 470.38 g/mol, XLogP of 7.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 3654854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).