2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide

C10H19N3O2S2 — CID 63944837

IUPAC2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C10H19N3O2S2/c1-7(2)5-4-6-12-17(14,15)9-8(3)13-10(11)16-9/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyWJWKNBMYLFUHHL-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.75
Rot. Bonds6

About 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63944837) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide
PubChem CID63944837
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C10H19N3O2S2/c1-7(2)5-4-6-12-17(14,15)9-8(3)13-10(11)16-9/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyWJWKNBMYLFUHHL-UHFFFAOYSA-N
XLogP1.75
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.75
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

2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
CID 115520750
2-amino-4-methyl-N-pent-3-ynyl-1,3-thiazole-5-sulfonamide
CID 116644653
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
CID 174649390
2-amino-N-(2-cyclopropylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 113475570
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588
N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 119962087
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106049249
4-methyl-5-methylsulfonyl-1,3-thiazol-2-amine
CID 91306499
2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 63944641
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822
2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63946600
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946412

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide (CID 63944837) is 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCCC(C)C.
What is the InChIKey of 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is WJWKNBMYLFUHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-7(2)5-4-6-12-17(14,15)9-8(3)13-10(11)16-9/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).