2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

C22H20ClN5OS2 — CID 54613367

IUPAC2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n(Nc2ccccc2)c1C
InChIInChI=1S/C22H20ClN5OS2/c1-14-15(2)28(27-18-6-4-3-5-7-18)22(24-14)31-13-20(29)26-21-25-19(12-30-21)16-8-10-17(23)11-9-16/h3-12,27H,13H2,1-2H3,(H,25,26,29)
InChIKeyHICKHUWRQNHRDE-UHFFFAOYSA-N
MW470.02 g/mol
LogP5.88
Rot. Bonds7

About 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide

2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 54613367) has the molecular formula C22H20ClN5OS2 and a molecular weight of 470.02 g/mol. Its IUPAC name is 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID54613367
Molecular FormulaC22H20ClN5OS2
Molecular Weight470.02 g/mol
Exact Mass469.08
IUPAC Name2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n(Nc2ccccc2)c1C
InChIInChI=1S/C22H20ClN5OS2/c1-14-15(2)28(27-18-6-4-3-5-7-18)22(24-14)31-13-20(29)26-21-25-19(12-30-21)16-8-10-17(23)11-9-16/h3-12,27H,13H2,1-2H3,(H,25,26,29)
InChIKeyHICKHUWRQNHRDE-UHFFFAOYSA-N
XLogP5.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 54613367) is 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1nc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n(Nc2ccccc2)c1C.
What is the InChIKey of 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HICKHUWRQNHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5OS2/c1-14-15(2)28(27-18-6-4-3-5-7-18)22(24-14)31-13-20(29)26-21-25-19(12-30-21)16-8-10-17(23)11-9-16/h3-12,27H,13H2,1-2H3,(H,25,26,29).
What are the key properties of 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 470.02 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 54613367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).