4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C23H24N6O3S3 — CID 22993944

IUPAC4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)c(-c3nc(C(=O)c4ccccc4)cs3)s2)cc1
InChIInChI=1S/C23H24N6O3S3/c1-29(2)13-12-25-35(31,32)17-10-8-16(9-11-17)26-23-28-21(24)20(34-23)22-27-18(14-33-22)19(30)15-6-4-3-5-7-15/h3-11,14,25H,12-13,24H2,1-2H3,(H,26,28)
InChIKeyOWOGZJLHGKQFLO-UHFFFAOYSA-N
MW528.69 g/mol
LogP3.66
Rot. Bonds10

About 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 22993944) has the molecular formula C23H24N6O3S3 and a molecular weight of 528.69 g/mol. Its IUPAC name is 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID22993944
Molecular FormulaC23H24N6O3S3
Molecular Weight528.69 g/mol
Exact Mass528.11
IUPAC Name4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)c(-c3nc(C(=O)c4ccccc4)cs3)s2)cc1
InChIInChI=1S/C23H24N6O3S3/c1-29(2)13-12-25-35(31,32)17-10-8-16(9-11-17)26-23-28-21(24)20(34-23)22-27-18(14-33-22)19(30)15-6-4-3-5-7-15/h3-11,14,25H,12-13,24H2,1-2H3,(H,26,28)
InChIKeyOWOGZJLHGKQFLO-UHFFFAOYSA-N
XLogP3.66
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.69
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 22993944) is 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)c(-c3nc(C(=O)c4ccccc4)cs3)s2)cc1.
What is the InChIKey of 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is OWOGZJLHGKQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S3/c1-29(2)13-12-25-35(31,32)17-10-8-16(9-11-17)26-23-28-21(24)20(34-23)22-27-18(14-33-22)19(30)15-6-4-3-5-7-15/h3-11,14,25H,12-13,24H2,1-2H3,(H,26,28).
What are the key properties of 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 528.69 g/mol, XLogP of 3.66, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(4-benzoyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 22993944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).