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

C23H18ClN3O2S — CID 3694257

IUPACN-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3csc(Nc4cccc(Cl)c4)n3)cc2)c1
InChIInChI=1S/C23H18ClN3O2S/c1-29-20-7-2-4-16(12-20)22(28)25-18-10-8-15(9-11-18)21-14-30-23(27-21)26-19-6-3-5-17(24)13-19/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyHLFYCHFEOHAZQY-UHFFFAOYSA-N
MW435.94 g/mol
LogP6.47
Rot. Bonds6

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

N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide (PubChem CID 3694257) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
PubChem CID3694257
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC NameN-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3csc(Nc4cccc(Cl)c4)n3)cc2)c1
InChIInChI=1S/C23H18ClN3O2S/c1-29-20-7-2-4-16(12-20)22(28)25-18-10-8-15(9-11-18)21-14-30-23(27-21)26-19-6-3-5-17(24)13-19/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyHLFYCHFEOHAZQY-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-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
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]furan-2-carboxamide
CID 42765515
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565441
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
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide (CID 3694257) is N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-c3csc(Nc4cccc(Cl)c4)n3)cc2)c1.
What is the InChIKey of N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
The InChIKey is HLFYCHFEOHAZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-29-20-7-2-4-16(12-20)22(28)25-18-10-8-15(9-11-18)21-14-30-23(27-21)26-19-6-3-5-17(24)13-19/h2-14H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide?
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-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-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 3694257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).