2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C23H23N5OS2 — CID 54613544

IUPAC2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(Nn2c(SCC(=O)Nc3nc(-c4ccccc4)cs3)nc(C)c2C)cc1
InChIInChI=1S/C23H23N5OS2/c1-15-9-11-19(12-10-15)27-28-17(3)16(2)24-23(28)31-14-21(29)26-22-25-20(13-30-22)18-7-5-4-6-8-18/h4-13,27H,14H2,1-3H3,(H,25,26,29)
InChIKeyZTQGSYDRVVTJAI-UHFFFAOYSA-N
MW449.61 g/mol
LogP5.54
Rot. Bonds7

About 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 54613544) has the molecular formula C23H23N5OS2 and a molecular weight of 449.61 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID54613544
Molecular FormulaC23H23N5OS2
Molecular Weight449.61 g/mol
Exact Mass449.13
IUPAC Name2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(Nn2c(SCC(=O)Nc3nc(-c4ccccc4)cs3)nc(C)c2C)cc1
InChIInChI=1S/C23H23N5OS2/c1-15-9-11-19(12-10-15)27-28-17(3)16(2)24-23(28)31-14-21(29)26-22-25-20(13-30-22)18-7-5-4-6-8-18/h4-13,27H,14H2,1-3H3,(H,25,26,29)
InChIKeyZTQGSYDRVVTJAI-UHFFFAOYSA-N
XLogP5.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.61
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 54613544) is 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(Nn2c(SCC(=O)Nc3nc(-c4ccccc4)cs3)nc(C)c2C)cc1.
What is the InChIKey of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZTQGSYDRVVTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS2/c1-15-9-11-19(12-10-15)27-28-17(3)16(2)24-23(28)31-14-21(29)26-22-25-20(13-30-22)18-7-5-4-6-8-18/h4-13,27H,14H2,1-3H3,(H,25,26,29).
What are the key properties of 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 449.61 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 54613544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).