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

C10H14F3N3OS — CID 75386183

IUPAC2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(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)
InChIKeyPZFVHEMHUHEZDF-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.64
Rot. Bonds5

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

2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 75386183) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID75386183
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(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)
InChIKeyPZFVHEMHUHEZDF-UHFFFAOYSA-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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Related Compounds

(2R)-N-(2-methoxyethyl)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propanamide
CID 97064296
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(1,1,1-trifluoropropan-2-yl)urea
CID 131891024
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 164642240
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787774
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389
(2S)-N,2-dimethyl-3-[methyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]propanamide
CID 97237748
methyl 3-methyl-5-[(1S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 97126228
methyl 3-methyl-5-[(1R)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 97126227
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899410
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 109397933

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 75386183) is 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N(C)Cc1nccs1.
What is the InChIKey of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PZFVHEMHUHEZDF-UHFFFAOYSA-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).
What are the key properties of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
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 2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 75386183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).