4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide

C12H23N3O2S2 — CID 106051072

IUPAC4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C12H23N3O2S2/c1-4-13-7-5-6-8-19(16,17)15-12-14-11(9-18-12)10(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyOEEMIIMLHYUIMR-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.40
Rot. Bonds9

About 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide

4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide (PubChem CID 106051072) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide
PubChem CID106051072
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C12H23N3O2S2/c1-4-13-7-5-6-8-19(16,17)15-12-14-11(9-18-12)10(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyOEEMIIMLHYUIMR-UHFFFAOYSA-N
XLogP2.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-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

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide (CID 106051072) is 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide?
The InChIKey is OEEMIIMLHYUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-4-13-7-5-6-8-19(16,17)15-12-14-11(9-18-12)10(2)3/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide?
4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide has a molecular weight of 305.47 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 106051072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).