N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C8H15N3O3S2 — CID 63253510

IUPACN-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C8H15N3O3S2/c1-5(9)3-4-10-16(13,14)7-6(2)11-8(12)15-7/h5,10H,3-4,9H2,1-2H3,(H,11,12)
InChIKeyYLDRHWAPDAXVFZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.24
Rot. Bonds5

About N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 63253510) has the molecular formula C8H15N3O3S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID63253510
Molecular FormulaC8H15N3O3S2
Molecular Weight265.36 g/mol
Exact Mass265.06
IUPAC NameN-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C8H15N3O3S2/c1-5(9)3-4-10-16(13,14)7-6(2)11-8(12)15-7/h5,10H,3-4,9H2,1-2H3,(H,11,12)
InChIKeyYLDRHWAPDAXVFZ-UHFFFAOYSA-N
XLogP-0.24
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-aminobutyl)-4-methyl-2-oxo-3H-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-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60715984
4-methyl-2-oxo-N-pent-4-ynyl-3H-1,3-thiazole-5-sulfonamide
CID 106222743
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
N-hex-5-ynyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106213763
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003
N-(1-cyanopropan-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62092270
7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984797

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 63253510) is N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YLDRHWAPDAXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S2/c1-5(9)3-4-10-16(13,14)7-6(2)11-8(12)15-7/h5,10H,3-4,9H2,1-2H3,(H,11,12).
What are the key properties of N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 265.36 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63253510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).