N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C23H18ClN3O2S2 — CID 55916212

IUPACN-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1
InChIInChI=1S/C23H18ClN3O2S2/c1-14(28)25-16-9-10-17(24)18(12-16)26-21(29)13-20-22(19-8-5-11-30-19)27-23(31-20)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyOZXMLEKAMPXBDM-UHFFFAOYSA-N
MW468.00 g/mol
LogP6.33
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 55916212) has the molecular formula C23H18ClN3O2S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID55916212
Molecular FormulaC23H18ClN3O2S2
Molecular Weight468.00 g/mol
Exact Mass467.05
IUPAC NameN-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1
InChIInChI=1S/C23H18ClN3O2S2/c1-14(28)25-16-9-10-17(24)18(12-16)26-21(29)13-20-22(19-8-5-11-30-19)27-23(31-20)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyOZXMLEKAMPXBDM-UHFFFAOYSA-N
XLogP6.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 38173223
N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 39575691
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
N-(3-chloro-2-methylphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995847
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
CID 39184468
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 38237310
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide
CID 3648729

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 55916212) is N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is CC(=O)Nc1ccc(Cl)c(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is OZXMLEKAMPXBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S2/c1-14(28)25-16-9-10-17(24)18(12-16)26-21(29)13-20-22(19-8-5-11-30-19)27-23(31-20)15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 468.00 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 55916212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).