N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide

C24H19ClN2O2S — CID 16651082

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2)cc1
InChIInChI=1S/C24H19ClN2O2S/c1-16-5-9-20(10-6-16)29-21-11-7-18(8-12-21)23(28)27-24-26-15-22(30-24)14-17-3-2-4-19(25)13-17/h2-13,15H,14H2,1H3,(H,26,27,28)
InChIKeyRLFFHGFPAYYOEW-UHFFFAOYSA-N
MW434.95 g/mol
LogP6.74
Rot. Bonds6

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide (PubChem CID 16651082) has the molecular formula C24H19ClN2O2S and a molecular weight of 434.95 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
PubChem CID16651082
Molecular FormulaC24H19ClN2O2S
Molecular Weight434.95 g/mol
Exact Mass434.09
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2)cc1
InChIInChI=1S/C24H19ClN2O2S/c1-16-5-9-20(10-6-16)29-21-11-7-18(8-12-21)23(28)27-24-26-15-22(30-24)14-17-3-2-4-19(25)13-17/h2-13,15H,14H2,1H3,(H,26,27,28)
InChIKeyRLFFHGFPAYYOEW-UHFFFAOYSA-N
XLogP6.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 33202259
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
CID 16650782
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974494
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
CID 2239682
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide (CID 16651082) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide is Cc1ccc(Oc2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2)cc1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide?
The InChIKey is RLFFHGFPAYYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2S/c1-16-5-9-20(10-6-16)29-21-11-7-18(8-12-21)23(28)27-24-26-15-22(30-24)14-17-3-2-4-19(25)13-17/h2-13,15H,14H2,1H3,(H,26,27,28).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide has a molecular weight of 434.95 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide is sourced from PubChem (CID 16651082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).