4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C14H19N3O2S2 — CID 106031784

IUPAC4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)NCCc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-11(2)15-8-7-12-3-5-13(6-4-12)21(18,19)17-14-16-9-10-20-14/h3-6,9-11,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyIKWDXNKWAOREEW-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.48
Rot. Bonds7

About 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106031784) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106031784
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)NCCc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H19N3O2S2/c1-11(2)15-8-7-12-3-5-13(6-4-12)21(18,19)17-14-16-9-10-20-14/h3-6,9-11,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyIKWDXNKWAOREEW-UHFFFAOYSA-N
XLogP2.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)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

4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-[1-(ethylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43506679
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170091244
5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 106031744
3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19221513
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 106031784) is 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)NCCc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IKWDXNKWAOREEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-11(2)15-8-7-12-3-5-13(6-4-12)21(18,19)17-14-16-9-10-20-14/h3-6,9-11,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).