N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide

C8H13N3O2S2 — CID 103415343

IUPACN-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC/C=C/CN)s1
InChIInChI=1S/C8H13N3O2S2/c1-7-10-6-8(14-7)15(12,13)11-5-3-2-4-9/h2-3,6,11H,4-5,9H2,1H3/b3-2+
InChIKeyPNYUIIGNMUNILH-NSCUHMNNSA-N
MW247.34 g/mol
LogP0.24
Rot. Bonds5

About N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103415343) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103415343
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC/C=C/CN)s1
InChIInChI=1S/C8H13N3O2S2/c1-7-10-6-8(14-7)15(12,13)11-5-3-2-4-9/h2-3,6,11H,4-5,9H2,1H3/b3-2+
InChIKeyPNYUIIGNMUNILH-NSCUHMNNSA-N
XLogP0.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-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

N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951424
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415967

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 103415343) is N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC/C=C/CN)s1.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PNYUIIGNMUNILH-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-7-10-6-8(14-7)15(12,13)11-5-3-2-4-9/h2-3,6,11H,4-5,9H2,1H3/b3-2+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103415343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).