2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

C13H12F3N3OS — CID 79792418

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1cccc(-c2nccs2)c1)C(F)(F)F
InChIInChI=1S/C13H12F3N3OS/c1-12(17,13(14,15)16)11(20)19-9-4-2-3-8(7-9)10-18-5-6-21-10/h2-7H,17H2,1H3,(H,19,20)
InChIKeyPGEPQFHKQOHJHL-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.03
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 79792418) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID79792418
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1cccc(-c2nccs2)c1)C(F)(F)F
InChIInChI=1S/C13H12F3N3OS/c1-12(17,13(14,15)16)11(20)19-9-4-2-3-8(7-9)10-18-5-6-21-10/h2-7H,17H2,1H3,(H,19,20)
InChIKeyPGEPQFHKQOHJHL-UHFFFAOYSA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (CID 79792418) is 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is CC(N)(C(=O)Nc1cccc(-c2nccs2)c1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is PGEPQFHKQOHJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-12(17,13(14,15)16)11(20)19-9-4-2-3-8(7-9)10-18-5-6-21-10/h2-7H,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 315.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 79792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).