3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide

C19H24N4O3S3 — CID 160959623

IUPAC3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(Cc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C19H24N4O3S3/c1-5-23(6-2)29(24,25)14-7-8-16(26-4)13(9-14)10-17-22-15(11-27-17)18-12(3)21-19(20)28-18/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)
InChIKeySWVOLAGPHJGLHV-UHFFFAOYSA-N
MW452.63 g/mol
LogP3.79
Rot. Bonds8

About 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide

3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide (PubChem CID 160959623) has the molecular formula C19H24N4O3S3 and a molecular weight of 452.63 g/mol. Its IUPAC name is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide
PubChem CID160959623
Molecular FormulaC19H24N4O3S3
Molecular Weight452.63 g/mol
Exact Mass452.10
IUPAC Name3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(Cc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C19H24N4O3S3/c1-5-23(6-2)29(24,25)14-7-8-16(26-4)13(9-14)10-17-22-15(11-27-17)18-12(3)21-19(20)28-18/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)
InChIKeySWVOLAGPHJGLHV-UHFFFAOYSA-N
XLogP3.79
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N,N-diethyl-4-methoxybenzenesulfonamide;hydrobromide
CID 87942079
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 152878110
5-(2-ethyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine
CID 82162091
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
5-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 159578628
N,N-diethyl-4-[2-[[3-[2-[ethyl-[4-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]sulfonylamino]ethyl]phenyl]-phenylmethyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 123351510
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 159105325
3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 158919249
4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 147056840
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
CID 154989865
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide (CID 160959623) is 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(Cc2nc(-c3sc(N)nc3C)cs2)c1.
What is the InChIKey of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide?
The InChIKey is SWVOLAGPHJGLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S3/c1-5-23(6-2)29(24,25)14-7-8-16(26-4)13(9-14)10-17-22-15(11-27-17)18-12(3)21-19(20)28-18/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21).
What are the key properties of 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide?
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide has a molecular weight of 452.63 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 160959623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).