N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C24H21N3O2S2 — CID 39575691

IUPACN-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1
InChIInChI=1S/C24H21N3O2S2/c1-16(28)26-19-10-5-7-17(13-19)15-25-22(29)14-21-23(20-11-6-12-30-20)27-24(31-21)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyPKFTZACYVKOXGY-UHFFFAOYSA-N
MW447.59 g/mol
LogP5.36
Rot. Bonds7

About N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 39575691) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID39575691
Molecular FormulaC24H21N3O2S2
Molecular Weight447.59 g/mol
Exact Mass447.11
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1
InChIInChI=1S/C24H21N3O2S2/c1-16(28)26-19-10-5-7-17(13-19)15-25-22(29)14-21-23(20-11-6-12-30-20)27-24(31-21)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyPKFTZACYVKOXGY-UHFFFAOYSA-N
XLogP5.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212
N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 38173223
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 39573477
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110342285
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 39575691) is N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is CC(=O)Nc1cccc(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is PKFTZACYVKOXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S2/c1-16(28)26-19-10-5-7-17(13-19)15-25-22(29)14-21-23(20-11-6-12-30-20)27-24(31-21)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 447.59 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 39575691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).