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

C9H14F3N3O2S2 — CID 115520750

IUPAC2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2S2/c1-6-7(18-8(13)15-6)19(16,17)14-5-3-2-4-9(10,11)12/h14H,2-5H2,1H3,(H2,13,15)
InChIKeyRZSLHBAKYAYMKR-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.04
Rot. Bonds6

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

2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide (PubChem CID 115520750) has the molecular formula C9H14F3N3O2S2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
PubChem CID115520750
Molecular FormulaC9H14F3N3O2S2
Molecular Weight317.36 g/mol
Exact Mass317.05
IUPAC Name2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCCCC(F)(F)F
InChIInChI=1S/C9H14F3N3O2S2/c1-6-7(18-8(13)15-6)19(16,17)14-5-3-2-4-9(10,11)12/h14H,2-5H2,1H3,(H2,13,15)
InChIKeyRZSLHBAKYAYMKR-UHFFFAOYSA-N
XLogP2.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.04
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-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588
2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 63944837
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
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-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822
2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63945805
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946412
2-amino-N-(2-cyclopropylpropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 113475570
5-amino-3-fluoro-2-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515228

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide (CID 115520750) is 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RZSLHBAKYAYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S2/c1-6-7(18-8(13)15-6)19(16,17)14-5-3-2-4-9(10,11)12/h14H,2-5H2,1H3,(H2,13,15).
What are the key properties of 2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 317.36 g/mol, XLogP of 2.04, 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-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 115520750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).