N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide

C21H21N3O2S2 — CID 52694784

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S2/c1-3-27-12-15-4-6-17(7-5-15)20(26)24-21-23-19(13-28-21)16-8-10-18(11-9-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyINDLBTXHWXJLLV-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.27
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide (PubChem CID 52694784) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
PubChem CID52694784
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S2/c1-3-27-12-15-4-6-17(7-5-15)20(26)24-21-23-19(13-28-21)16-8-10-18(11-9-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyINDLBTXHWXJLLV-UHFFFAOYSA-N
XLogP5.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide (CID 52694784) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide is CCSCc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide?
The InChIKey is INDLBTXHWXJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-3-27-12-15-4-6-17(7-5-15)20(26)24-21-23-19(13-28-21)16-8-10-18(11-9-16)22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide has a molecular weight of 411.55 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(ethylsulfanylmethyl)benzamide is sourced from PubChem (CID 52694784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).