N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide

C21H21N3O2S2 — CID 24529270

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CSc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C21H21N3O2S2/c1-13-4-5-14(2)19(10-13)27-12-20(26)24-21-23-18(11-28-21)16-6-8-17(9-7-16)22-15(3)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyLJYTWUMBMGONJS-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.12
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 24529270) 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]-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID24529270
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CSc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C21H21N3O2S2/c1-13-4-5-14(2)19(10-13)27-12-20(26)24-21-23-18(11-28-21)16-6-8-17(9-7-16)22-15(3)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,24,26)
InChIKeyLJYTWUMBMGONJS-UHFFFAOYSA-N
XLogP5.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
2-(4-acetamidophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26301328
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820378
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151826
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 111542504
2-(3-acetamidophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 18899012
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 46632717
2-[[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713043
2-[[5-[1-(3,4-dimethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 17306135
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119676258

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 24529270) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CSc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is LJYTWUMBMGONJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-13-4-5-14(2)19(10-13)27-12-20(26)24-21-23-18(11-28-21)16-6-8-17(9-7-16)22-15(3)25/h4-11H,12H2,1-3H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 411.55 g/mol, XLogP of 5.12, 6 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]-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 24529270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).