2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide

C17H16N4O3S2 — CID 2430915

IUPAC2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C17H16N4O3S2/c1-10-15(12-6-4-3-5-7-12)26-16(18-10)19-14(24)9-25-17-20-13(23)8-21(17)11(2)22/h3-7H,8-9H2,1-2H3,(H,18,19,24)
InChIKeyIYYCBQMKULNQTQ-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.53
Rot. Bonds4

About 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide

2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2430915) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2430915
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(C)c(-c2ccccc2)s1
InChIInChI=1S/C17H16N4O3S2/c1-10-15(12-6-4-3-5-7-12)26-16(18-10)19-14(24)9-25-17-20-13(23)8-21(17)11(2)22/h3-7H,8-9H2,1-2H3,(H,18,19,24)
InChIKeyIYYCBQMKULNQTQ-UHFFFAOYSA-N
XLogP2.53
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide (CID 2430915) is 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide is CC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(C)c(-c2ccccc2)s1.
What is the InChIKey of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IYYCBQMKULNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-10-15(12-6-4-3-5-7-12)26-16(18-10)19-14(24)9-25-17-20-13(23)8-21(17)11(2)22/h3-7H,8-9H2,1-2H3,(H,18,19,24).
What are the key properties of 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)sulfanyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2430915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).