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

C9H15F3N4O2S2 — CID 103363219

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

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

3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide (PubChem CID 103363219) has the molecular formula C9H15F3N4O2S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide
PubChem CID103363219
Molecular FormulaC9H15F3N4O2S2
Molecular Weight332.37 g/mol
Exact Mass332.06
IUPAC Name3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide
SMILESCN(CCC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C9H15F3N4O2S2/c1-15(2)20(17,18)6-7(13)14-19-8(6)16(3)5-4-9(10,11)12/h4-5H2,1-3H3,(H2,13,14)
InChIKeySXIAIPSYNUWPAQ-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide (CID 103363219) is 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide is CN(CCC(F)(F)F)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide?
The InChIKey is SXIAIPSYNUWPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S2/c1-15(2)20(17,18)6-7(13)14-19-8(6)16(3)5-4-9(10,11)12/h4-5H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-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-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103363219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).