5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C14H19N3O2S2 — CID 61479670

IUPAC5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C14H19N3O2S2/c1-4-10-5-6-11(15)7-13(10)21(18,19)17-14-16-12(8-20-14)9(2)3/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeyPSNDGJVMBGTBPS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.21
Rot. Bonds5

About 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61479670) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61479670
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C14H19N3O2S2/c1-4-10-5-6-11(15)7-13(10)21(18,19)17-14-16-12(8-20-14)9(2)3/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeyPSNDGJVMBGTBPS-UHFFFAOYSA-N
XLogP3.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 54958513
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479389
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479503
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126239
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
5-bromo-2-hydrazinyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 61480970
5-amino-2-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617190
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61479670) is 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PSNDGJVMBGTBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-10-5-6-11(15)7-13(10)21(18,19)17-14-16-12(8-20-14)9(2)3/h5-9H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).