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

C19H16ClN3O2S — CID 36782312

IUPAC3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1
InChIInChI=1S/C19H16ClN3O2S/c1-12(24)22-15-7-4-6-14(9-15)18(25)23-19-21-11-16(26-19)10-13-5-2-3-8-17(13)20/h2-9,11H,10H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyWDNJQTRTZOMBDG-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.60
Rot. Bonds5

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

3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 36782312) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID36782312
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1
InChIInChI=1S/C19H16ClN3O2S/c1-12(24)22-15-7-4-6-14(9-15)18(25)23-19-21-11-16(26-19)10-13-5-2-3-8-17(13)20/h2-9,11H,10H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyWDNJQTRTZOMBDG-UHFFFAOYSA-N
XLogP4.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46535806
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N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 46510170
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]dibenzofuran-2-carboxamide
CID 18876171
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651562
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60567350
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55480337
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 135963079
3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 46485096
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 36782312) is 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1.
What is the InChIKey of 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WDNJQTRTZOMBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-12(24)22-15-7-4-6-14(9-15)18(25)23-19-21-11-16(26-19)10-13-5-2-3-8-17(13)20/h2-9,11H,10H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 385.88 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 36782312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).