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

C7H11BrN2O2S2 — CID 103416040

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

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

N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103416040) has the molecular formula C7H11BrN2O2S2 and a molecular weight of 299.22 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103416040
Molecular FormulaC7H11BrN2O2S2
Molecular Weight299.22 g/mol
Exact Mass297.94
IUPAC NameN-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(C)Br)s1
InChIInChI=1S/C7H11BrN2O2S2/c1-5(8)3-10-14(11,12)7-4-9-6(2)13-7/h4-5,10H,3H2,1-2H3
InChIKeyUVBYKSPIKHGWEB-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'}

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Related Compounds

N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103416040) is N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(C)Br)s1.
What is the InChIKey of N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UVBYKSPIKHGWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2S2/c1-5(8)3-10-14(11,12)7-4-9-6(2)13-7/h4-5,10H,3H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-bromopropyl)-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-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103416040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).