2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C10H14F3N3OS — CID 115587199

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ncc(CNC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-6(9(17)16-5-10(11,12)13)14-3-8-4-15-7(2)18-8/h4,6,14H,3,5H2,1-2H3,(H,16,17)
InChIKeyZHZSZCBXDVEIAJ-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.61
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115587199) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115587199
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ncc(CNC(C)C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-6(9(17)16-5-10(11,12)13)14-3-8-4-15-7(2)18-8/h4,6,14H,3,5H2,1-2H3,(H,16,17)
InChIKeyZHZSZCBXDVEIAJ-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
3,3,3-trifluoro-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]propanoic acid
CID 103243292
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
2,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79623536
methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 99834931
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 166253350

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115587199) is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1ncc(CNC(C)C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZHZSZCBXDVEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-6(9(17)16-5-10(11,12)13)14-3-8-4-15-7(2)18-8/h4,6,14H,3,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 281.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115587199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).