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

C8H13F3N4O2S2 — CID 103361145

IUPAC3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCC(F)(F)F
InChIInChI=1S/C8H13F3N4O2S2/c1-15(2)19(16,17)5-6(12)14-18-7(5)13-4-3-8(9,10)11/h13H,3-4H2,1-2H3,(H2,12,14)
InChIKeyCPNAAAWZQVLGML-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.34
Rot. Bonds5

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

3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103361145) has the molecular formula C8H13F3N4O2S2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103361145
Molecular FormulaC8H13F3N4O2S2
Molecular Weight318.35 g/mol
Exact Mass318.04
IUPAC Name3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCC(F)(F)F
InChIInChI=1S/C8H13F3N4O2S2/c1-15(2)19(16,17)5-6(12)14-18-7(5)13-4-3-8(9,10)11/h13H,3-4H2,1-2H3,(H2,12,14)
InChIKeyCPNAAAWZQVLGML-UHFFFAOYSA-N
XLogP1.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide (CID 103361145) is 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCCC(F)(F)F.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is CPNAAAWZQVLGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S2/c1-15(2)19(16,17)5-6(12)14-18-7(5)13-4-3-8(9,10)11/h13H,3-4H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.34, 5 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-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103361145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).