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

C23H18ClN3O2S — CID 5012288

IUPAC2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1cccc(Nc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cs2)c1
InChIInChI=1S/C23H18ClN3O2S/c1-29-18-9-5-8-17(13-18)26-23-27-21(14-30-23)15-6-4-7-16(12-15)25-22(28)19-10-2-3-11-20(19)24/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyXZQPJVBKTQYDRX-UHFFFAOYSA-N
MW435.94 g/mol
LogP6.47
Rot. Bonds6

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

2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 5012288) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID5012288
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC Name2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOc1cccc(Nc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cs2)c1
InChIInChI=1S/C23H18ClN3O2S/c1-29-18-9-5-8-17(13-18)26-23-27-21(14-30-23)15-6-4-7-16(12-15)25-22(28)19-10-2-3-11-20(19)24/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyXZQPJVBKTQYDRX-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-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3654854
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]-4-methoxybenzamide
CID 5151529
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
3-cyclopentyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3887660
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 5012288) is 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is COc1cccc(Nc2nc(-c3cccc(NC(=O)c4ccccc4Cl)c3)cs2)c1.
What is the InChIKey of 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is XZQPJVBKTQYDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-29-18-9-5-8-17(13-18)26-23-27-21(14-30-23)15-6-4-7-16(12-15)25-22(28)19-10-2-3-11-20(19)24/h2-14H,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide 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 2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 5012288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).