2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide

C9H17N3O3S2 — CID 22406968

IUPAC2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)CCCC(O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O3S2/c1-12(2)5-3-4-7(13)9-11-6-8(16-9)17(10,14)15/h6-7,13H,3-5H2,1-2H3,(H2,10,14,15)
InChIKeyJVAXVTRSIZHRMJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.17
Rot. Bonds6

About 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide

2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide (PubChem CID 22406968) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide
PubChem CID22406968
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC Name2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide
SMILESCN(C)CCCC(O)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O3S2/c1-12(2)5-3-4-7(13)9-11-6-8(16-9)17(10,14)15/h6-7,13H,3-5H2,1-2H3,(H2,10,14,15)
InChIKeyJVAXVTRSIZHRMJ-UHFFFAOYSA-N
XLogP0.17
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(dimethylamino)-1-hydroxybutyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide (CID 22406968) is 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide is CN(C)CCCC(O)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is JVAXVTRSIZHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-12(2)5-3-4-7(13)9-11-6-8(16-9)17(10,14)15/h6-7,13H,3-5H2,1-2H3,(H2,10,14,15).
What are the key properties of 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide?
2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-1-hydroxybutyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22406968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).