4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C24H24N4O3S2 — CID 5188724

IUPAC4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C24H24N4O3S2/c29-23(19-7-11-21(12-8-19)33(30,31)28-13-3-1-2-4-14-28)25-20-9-5-18(6-10-20)22-17-27-15-16-32-24(27)26-22/h5-12,15-17H,1-4,13-14H2,(H,25,29)
InChIKeyUUBJZHOSSGAFML-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.88
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 5188724) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID5188724
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C24H24N4O3S2/c29-23(19-7-11-21(12-8-19)33(30,31)28-13-3-1-2-4-14-28)25-20-9-5-18(6-10-20)22-17-27-15-16-32-24(27)26-22/h5-12,15-17H,1-4,13-14H2,(H,25,29)
InChIKeyUUBJZHOSSGAFML-UHFFFAOYSA-N
XLogP4.88
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 5188724) is 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is UUBJZHOSSGAFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c29-23(19-7-11-21(12-8-19)33(30,31)28-13-3-1-2-4-14-28)25-20-9-5-18(6-10-20)22-17-27-15-16-32-24(27)26-22/h5-12,15-17H,1-4,13-14H2,(H,25,29).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 480.62 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 5188724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).