N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide

C16H20N4O3S2 — CID 7244507

IUPACN-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1csc2nc(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C16H20N4O3S2/c1-3-10-25(21,22)17-9-8-13-11-24-16-18-15(19-20(13)16)12-4-6-14(23-2)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeySYKYVWMWEKQVHQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.34
Rot. Bonds8

About N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide

N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide (PubChem CID 7244507) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide
PubChem CID7244507
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1csc2nc(-c3ccc(OC)cc3)nn12
InChIInChI=1S/C16H20N4O3S2/c1-3-10-25(21,22)17-9-8-13-11-24-16-18-15(19-20(13)16)12-4-6-14(23-2)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeySYKYVWMWEKQVHQ-UHFFFAOYSA-N
XLogP2.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide 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

4-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1300486
2-(4-Fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}acetamide
CID 7243428
N-{2-[2-(4-Methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2,2-dimethylpropanamide
CID 7287095
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide
CID 7287111
3-acetyl-N-(2-(2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzenesulfonamide
CID 16032122
4-Fluoro-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}-2-methylbenzene-1-sulfonamide
CID 16032124
2,5-dimethoxy-N-(2-(2-phenylthiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzenesulfonamide
CID 16032150
N-(2-(2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 16032178
3-fluoro-4-methoxy-N-(2-(2-(m-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)benzenesulfonamide
CID 16032199
N-(2-(2-(m-tolyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 16032209
N-(2-(2-(3,4-dimethoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)-2,4,6-trimethylbenzenesulfonamide
CID 16032211
N-{2-[2-(4-Fluorophenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}-4-phenoxybenzene-1-sulfonamide
CID 16032238

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide (CID 7244507) is N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1csc2nc(-c3ccc(OC)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide?
The InChIKey is SYKYVWMWEKQVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-3-10-25(21,22)17-9-8-13-11-24-16-18-15(19-20(13)16)12-4-6-14(23-2)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide?
N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide has a molecular weight of 380.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 7244507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).