(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide

C9H12F3N3O3S2 — CID 129434133

IUPAC(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide
SMILESC[C@H](C(=O)NS(=O)(=O)c1nccs1)N(C)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O3S2/c1-6(15(2)5-9(10,11)12)7(16)14-20(17,18)8-13-3-4-19-8/h3-4,6H,5H2,1-2H3,(H,14,16)/t6-/m1/s1
InChIKeyYDIXBBXTZLNKMI-ZCFIWIBFSA-N
MW331.34 g/mol
LogP0.83
Rot. Bonds5

About (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide

(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide (PubChem CID 129434133) has the molecular formula C9H12F3N3O3S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide
PubChem CID129434133
Molecular FormulaC9H12F3N3O3S2
Molecular Weight331.34 g/mol
Exact Mass331.03
IUPAC Name(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide
SMILESC[C@H](C(=O)NS(=O)(=O)c1nccs1)N(C)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O3S2/c1-6(15(2)5-9(10,11)12)7(16)14-20(17,18)8-13-3-4-19-8/h3-4,6H,5H2,1-2H3,(H,14,16)/t6-/m1/s1
InChIKeyYDIXBBXTZLNKMI-ZCFIWIBFSA-N
XLogP0.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide?
The IUPAC name of (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide (CID 129434133) is (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide.
What is the SMILES notation for (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide?
The canonical SMILES for (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide is C[C@H](C(=O)NS(=O)(=O)c1nccs1)N(C)CC(F)(F)F.
What is the InChIKey of (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide?
The InChIKey is YDIXBBXTZLNKMI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F3N3O3S2/c1-6(15(2)5-9(10,11)12)7(16)14-20(17,18)8-13-3-4-19-8/h3-4,6H,5H2,1-2H3,(H,14,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide?
(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide has a molecular weight of 331.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide is sourced from PubChem (CID 129434133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).