3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C9H15F3N4O2S2 — CID 103360704

IUPAC3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C9H15F3N4O2S2/c1-4-16(5-9(10,11)12)8-6(7(13)14-19-8)20(17,18)15(2)3/h4-5H2,1-3H3,(H2,13,14)
InChIKeyPHRNBFBYSKOOIK-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.36
Rot. Bonds5

About 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103360704) has the molecular formula C9H15F3N4O2S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103360704
Molecular FormulaC9H15F3N4O2S2
Molecular Weight332.37 g/mol
Exact Mass332.06
IUPAC Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C9H15F3N4O2S2/c1-4-16(5-9(10,11)12)8-6(7(13)14-19-8)20(17,18)15(2)3/h4-5H2,1-3H3,(H2,13,14)
InChIKeyPHRNBFBYSKOOIK-UHFFFAOYSA-N
XLogP1.36
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349059
4-cyclopropylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349074
4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349076
4-cyclopropylsulfonyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349080
4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349466
4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103349847
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
4-ethylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360692
3-amino-N,N-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360694
5-N-propan-2-yl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360700

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103360704) is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is PHRNBFBYSKOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S2/c1-4-16(5-9(10,11)12)8-6(7(13)14-19-8)20(17,18)15(2)3/h4-5H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103360704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).