N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide

C18H14ClN3O2S — CID 23889740

IUPACN-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H14ClN3O2S/c1-11(23)20-18-21-15(12-5-3-2-4-6-12)17(25-18)22-16(24)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,22,24)(H,20,21,23)
InChIKeyMREIDPOKQXISRW-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.67
Rot. Bonds4

About N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide

N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide (PubChem CID 23889740) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
PubChem CID23889740
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H14ClN3O2S/c1-11(23)20-18-21-15(12-5-3-2-4-6-12)17(25-18)22-16(24)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,22,24)(H,20,21,23)
InChIKeyMREIDPOKQXISRW-UHFFFAOYSA-N
XLogP4.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 34306834
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 135956722
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
4-chloro-N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 15497678
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300079
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-[2-(2-acetylhydrazinyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 66486249
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide?
The IUPAC name of N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide (CID 23889740) is N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide?
The canonical SMILES for N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide is CC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide?
The InChIKey is MREIDPOKQXISRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-11(23)20-18-21-15(12-5-3-2-4-6-12)17(25-18)22-16(24)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide?
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide has a molecular weight of 371.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide is sourced from PubChem (CID 23889740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).