N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide

C19H21N3O3S3 — CID 163515050

IUPACN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
SMILESCCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1
InChIInChI=1S/C19H21N3O3S3/c1-4-9-28(24,25)15-7-5-14(6-8-15)10-17(23)22-19-21-16(11-26-19)18-12(2)20-13(3)27-18/h5-8,11H,4,9-10H2,1-3H3,(H,21,22,23)
InChIKeyDFYWQYDGKNARIP-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.25
Rot. Bonds7

About N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide

N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide (PubChem CID 163515050) has the molecular formula C19H21N3O3S3 and a molecular weight of 435.60 g/mol. Its IUPAC name is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
PubChem CID163515050
Molecular FormulaC19H21N3O3S3
Molecular Weight435.60 g/mol
Exact Mass435.07
IUPAC NameN-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
SMILESCCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1
InChIInChI=1S/C19H21N3O3S3/c1-4-9-28(24,25)15-7-5-14(6-8-15)10-17(23)22-19-21-16(11-26-19)18-12(2)20-13(3)27-18/h5-8,11H,4,9-10H2,1-3H3,(H,21,22,23)
InChIKeyDFYWQYDGKNARIP-UHFFFAOYSA-N
XLogP4.25
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide 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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587027
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
CID 126664102
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119735206
2-(4-ethylsulfonylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 18587057
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylsulfonylphenyl)propan-2-one
CID 159152454
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 2958770
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide (CID 163515050) is N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide is CCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3sc(C)nc3C)cs2)cc1.
What is the InChIKey of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide?
The InChIKey is DFYWQYDGKNARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S3/c1-4-9-28(24,25)15-7-5-14(6-8-15)10-17(23)22-19-21-16(11-26-19)18-12(2)20-13(3)27-18/h5-8,11H,4,9-10H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide?
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide has a molecular weight of 435.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide is sourced from PubChem (CID 163515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).