3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide

C8H12F4N4O2S2 — CID 106296486

IUPAC3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N4O2S2/c1-16(2)20(17,18)4-5(13)15-19-6(4)14-3-8(11,12)7(9)10/h7,14H,3H2,1-2H3,(H2,13,15)
InChIKeyYHQQVIYBHUNMCK-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.29
Rot. Bonds6

About 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 106296486) has the molecular formula C8H12F4N4O2S2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide
PubChem CID106296486
Molecular FormulaC8H12F4N4O2S2
Molecular Weight336.34 g/mol
Exact Mass336.03
IUPAC Name3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N4O2S2/c1-16(2)20(17,18)4-5(13)15-19-6(4)14-3-8(11,12)7(9)10/h7,14H,3H2,1-2H3,(H2,13,15)
InChIKeyYHQQVIYBHUNMCK-UHFFFAOYSA-N
XLogP1.29
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349140
4-cyclopropylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349518
4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103349733
4-ethylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360591
3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360593
5-N-methyl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360599
3-amino-N,N-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360694
5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360702
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360704
5-N-ethyl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360710
4-ethylsulfonyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360722
3-amino-N,N-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360724

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide (CID 106296486) is 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is YHQQVIYBHUNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N4O2S2/c1-16(2)20(17,18)4-5(13)15-19-6(4)14-3-8(11,12)7(9)10/h7,14H,3H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 336.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 106296486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).