(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H14F3N3OS — CID 97237746

IUPAC(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nccs1
InChIInChI=1S/C10H14F3N3OS/c1-7(9(17)15-6-10(11,12)13)16(2)5-8-14-3-4-18-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)/t7-/m0/s1
InChIKeyPZFVHEMHUHEZDF-ZETCQYMHSA-N
MW281.30 g/mol
LogP1.64
Rot. Bonds5

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

(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 97237746) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID97237746
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nccs1
InChIInChI=1S/C10H14F3N3OS/c1-7(9(17)15-6-10(11,12)13)16(2)5-8-14-3-4-18-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)/t7-/m0/s1
InChIKeyPZFVHEMHUHEZDF-ZETCQYMHSA-N
XLogP1.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 97237746) is (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1nccs1.
What is the InChIKey of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PZFVHEMHUHEZDF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-7(9(17)15-6-10(11,12)13)16(2)5-8-14-3-4-18-8/h3-4,7H,5-6H2,1-2H3,(H,15,17)/t7-/m0/s1.
What are the key properties of (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 281.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 97237746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).