4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide

C19H24N4O3S2 — CID 147056840

IUPAC4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCc1nc(C)n(C)c1-c1csc(Cc2cc(S(N)(=O)=O)ccc2OC(C)C)n1
InChIInChI=1S/C19H24N4O3S2/c1-11(2)26-17-7-6-15(28(20,24)25)8-14(17)9-18-22-16(10-27-18)19-12(3)21-13(4)23(19)5/h6-8,10-11H,9H2,1-5H3,(H2,20,24,25)
InChIKeyBCJYAPKUXQGUIR-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.19
Rot. Bonds6

About 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide

4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 147056840) has the molecular formula C19H24N4O3S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
PubChem CID147056840
Molecular FormulaC19H24N4O3S2
Molecular Weight420.56 g/mol
Exact Mass420.13
IUPAC Name4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
SMILESCc1nc(C)n(C)c1-c1csc(Cc2cc(S(N)(=O)=O)ccc2OC(C)C)n1
InChIInChI=1S/C19H24N4O3S2/c1-11(2)26-17-7-6-15(28(20,24)25)8-14(17)9-18-22-16(10-27-18)19-12(3)21-13(4)23(19)5/h6-8,10-11H,9H2,1-5H3,(H2,20,24,25)
InChIKeyBCJYAPKUXQGUIR-UHFFFAOYSA-N
XLogP3.19
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(2,3-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 87941676
3-[[4-[2-[(dimethylamino)methyl]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 158919249
3-[[4-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 162029801
4-propan-2-yloxy-3-[[4-(4-propan-2-yl-3-pyridinyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 159526318
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-N,N-diethyl-4-methoxybenzenesulfonamide
CID 160959623
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
3-[[4-[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 87941720
2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline
CID 144676340
3-(2-aminopropyl)-4-methoxybenzenesulfonamide
CID 67643235
3-[[4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 71472280
3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 161448338
3-[[4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 71471655

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide (CID 147056840) is 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is Cc1nc(C)n(C)c1-c1csc(Cc2cc(S(N)(=O)=O)ccc2OC(C)C)n1.
What is the InChIKey of 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is BCJYAPKUXQGUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S2/c1-11(2)26-17-7-6-15(28(20,24)25)8-14(17)9-18-22-16(10-27-18)19-12(3)21-13(4)23(19)5/h6-8,10-11H,9H2,1-5H3,(H2,20,24,25).
What are the key properties of 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide?
4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 420.56 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-3-[[4-(2,3,5-trimethylimidazol-4-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 147056840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).