N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

C7H11BrN2O2S2 — CID 103416028

IUPACN-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)CBr)s1
InChIInChI=1S/C7H11BrN2O2S2/c1-5(3-8)10-14(11,12)7-4-9-6(2)13-7/h4-5,10H,3H2,1-2H3
InChIKeyUCBLIXPMEKUHIK-UHFFFAOYSA-N
MW299.22 g/mol
LogP1.51
Rot. Bonds4

About N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103416028) has the molecular formula C7H11BrN2O2S2 and a molecular weight of 299.22 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103416028
Molecular FormulaC7H11BrN2O2S2
Molecular Weight299.22 g/mol
Exact Mass297.94
IUPAC NameN-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC(C)CBr)s1
InChIInChI=1S/C7H11BrN2O2S2/c1-5(3-8)10-14(11,12)7-4-9-6(2)13-7/h4-5,10H,3H2,1-2H3
InChIKeyUCBLIXPMEKUHIK-UHFFFAOYSA-N
XLogP1.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)-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-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
CID 104936317
N-(1-bromopentan-3-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416148
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 106158450
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-[(2S,4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 97074662
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
N-(1-cyanobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 104694078
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103416028) is N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC(C)CBr)s1.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UCBLIXPMEKUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2S2/c1-5(3-8)10-14(11,12)7-4-9-6(2)13-7/h4-5,10H,3H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 299.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103416028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).