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

C7H9F4N3O2S2 — CID 106294637

IUPAC2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3O2S2/c1-3-4(17-6(12)14-3)18(15,16)13-2-7(10,11)5(8)9/h5,13H,2H2,1H3,(H2,12,14)
InChIKeyFQPPBAKLVWBBMB-UHFFFAOYSA-N
MW307.29 g/mol
LogP1.21
Rot. Bonds5

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

2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 106294637) has the molecular formula C7H9F4N3O2S2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide
PubChem CID106294637
Molecular FormulaC7H9F4N3O2S2
Molecular Weight307.29 g/mol
Exact Mass307.01
IUPAC Name2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3O2S2/c1-3-4(17-6(12)14-3)18(15,16)13-2-7(10,11)5(8)9/h5,13H,2H2,1H3,(H2,12,14)
InChIKeyFQPPBAKLVWBBMB-UHFFFAOYSA-N
XLogP1.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Thiazolesulfonylfluoride, 2-amino-4-methyl-
CID 270743
N-(2-fluorocyclopropyl)-4-methyl-2-(methylamino)-1,3-thiazole-5-sulfonamide
CID 60127666
2-(Ethylamino)-4-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 88085846
2-chloro-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 43456163
2-chloro-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 63226797
2-(Difluoromethylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945635
2-amino-4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
CID 63946014
2-amino-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 63946016
2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946409
2-amino-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946588
2-amino-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946611
2-amino-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 63946612

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide (CID 106294637) is 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FQPPBAKLVWBBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3O2S2/c1-3-4(17-6(12)14-3)18(15,16)13-2-7(10,11)5(8)9/h5,13H,2H2,1H3,(H2,12,14).
What are the key properties of 2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 307.29 g/mol, XLogP of 1.21, 5 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-(2,2,3,3-tetrafluoropropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106294637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).