2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride

C9H18ClN3O2S2 — CID 120716098

IUPAC2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cnc(C)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-3-4-10-5-6-12-16(13,14)9-7-11-8(2)15-9;/h7,10,12H,3-6H2,1-2H3;1H
InChIKeyGMOMAMFHGZNALJ-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.15
Rot. Bonds7

About 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride

2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride (PubChem CID 120716098) has the molecular formula C9H18ClN3O2S2 and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
PubChem CID120716098
Molecular FormulaC9H18ClN3O2S2
Molecular Weight299.85 g/mol
Exact Mass299.05
IUPAC Name2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cnc(C)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-3-4-10-5-6-12-16(13,14)9-7-11-8(2)15-9;/h7,10,12H,3-6H2,1-2H3;1H
InChIKeyGMOMAMFHGZNALJ-UHFFFAOYSA-N
XLogP1.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
2-amino-N-propyl-1,3-thiazole-5-sulfonamide
CID 87417017
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
N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847923
N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847938
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-[(E)-4-aminobut-2-enyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride?
The IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride (CID 120716098) is 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cnc(C)s1.Cl.
What is the InChIKey of 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride?
The InChIKey is GMOMAMFHGZNALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2.ClH/c1-3-4-10-5-6-12-16(13,14)9-7-11-8(2)15-9;/h7,10,12H,3-6H2,1-2H3;1H.
What are the key properties of 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride?
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120716098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).