N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide

C14H14F3N3OS — CID 129471742

IUPACN-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3OS/c1-9(13-20-11(8-22-13)14(15,16)17)18-7-12(21)19-10-5-3-2-4-6-10/h2-6,8-9,18H,7H2,1H3,(H,19,21)/t9-/m0/s1
InChIKeyIRCRPCAHAHGWIY-VIFPVBQESA-N
MW329.35 g/mol
LogP3.45
Rot. Bonds5

About N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide

N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide (PubChem CID 129471742) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide
PubChem CID129471742
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H14F3N3OS/c1-9(13-20-11(8-22-13)14(15,16)17)18-7-12(21)19-10-5-3-2-4-6-10/h2-6,8-9,18H,7H2,1H3,(H,19,21)/t9-/m0/s1
InChIKeyIRCRPCAHAHGWIY-VIFPVBQESA-N
XLogP3.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid
CID 166307451
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
3-[2-oxo-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]imidazole-4-carboxylic acid
CID 166303710
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide?
The IUPAC name of N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide (CID 129471742) is N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide.
What is the SMILES notation for N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide?
The canonical SMILES for N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccccc1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide?
The InChIKey is IRCRPCAHAHGWIY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-9(13-20-11(8-22-13)14(15,16)17)18-7-12(21)19-10-5-3-2-4-6-10/h2-6,8-9,18H,7H2,1H3,(H,19,21)/t9-/m0/s1.
What are the key properties of N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide?
N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide has a molecular weight of 329.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide is sourced from PubChem (CID 129471742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).