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

C10H17F3N4O2S2 — CID 103364974

IUPAC3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCCCC(F)(F)F
InChIInChI=1S/C10H17F3N4O2S2/c1-17(2)21(18,19)7-8(14)16-20-9(7)15-6-4-3-5-10(11,12)13/h15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyYRSZHZDFLRABDZ-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.12
Rot. Bonds7

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

3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103364974) has the molecular formula C10H17F3N4O2S2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103364974
Molecular FormulaC10H17F3N4O2S2
Molecular Weight346.40 g/mol
Exact Mass346.07
IUPAC Name3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCCCC(F)(F)F
InChIInChI=1S/C10H17F3N4O2S2/c1-17(2)21(18,19)7-8(14)16-20-9(7)15-6-4-3-5-10(11,12)13/h15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyYRSZHZDFLRABDZ-UHFFFAOYSA-N
XLogP2.12
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103349733
4-cyclopropylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103349737
3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360593
3-amino-N,N-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360694
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360704
3-amino-N,N-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360724
4-ethylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361143
3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide
CID 103361145
4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361152
3-amino-N,N-dimethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,2-thiazole-4-sulfonamide
CID 103361716
3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide
CID 103363219
3-amino-N,N-dimethyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-sulfonamide
CID 103363595

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide (CID 103364974) is 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCCCCC(F)(F)F.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is YRSZHZDFLRABDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S2/c1-17(2)21(18,19)7-8(14)16-20-9(7)15-6-4-3-5-10(11,12)13/h15H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 346.40 g/mol, XLogP of 2.12, 7 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-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103364974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).