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

C23H18ClN3O2S — CID 5151529

IUPACN-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3csc(Nc4ccc(Cl)cc4)n3)c2)cc1
InChIInChI=1S/C23H18ClN3O2S/c1-29-20-11-5-15(6-12-20)22(28)25-19-4-2-3-16(13-19)21-14-30-23(27-21)26-18-9-7-17(24)8-10-18/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyHKXMYLDAKBQYAL-UHFFFAOYSA-N
MW435.94 g/mol
LogP6.47
Rot. Bonds6

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

N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide (PubChem CID 5151529) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
PubChem CID5151529
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC NameN-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3csc(Nc4ccc(Cl)cc4)n3)c2)cc1
InChIInChI=1S/C23H18ClN3O2S/c1-29-20-11-5-15(6-12-20)22(28)25-19-4-2-3-16(13-19)21-14-30-23(27-21)26-18-9-7-17(24)8-10-18/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyHKXMYLDAKBQYAL-UHFFFAOYSA-N
XLogP6.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
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]benzamide
CID 3265729
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 42765483
N-[3-[2-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358305
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide (CID 5151529) is N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3csc(Nc4ccc(Cl)cc4)n3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide?
The InChIKey is HKXMYLDAKBQYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-29-20-11-5-15(6-12-20)22(28)25-19-4-2-3-16(13-19)21-14-30-23(27-21)26-18-9-7-17(24)8-10-18/h2-14H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide?
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide has a molecular weight of 435.94 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 5151529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).