N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide

C11H8F3N3OS — CID 28865303

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESNc1nc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-7-3-1-2-6(4-7)8-5-19-10(15)17-8/h1-5H,(H2,15,17)(H,16,18)
InChIKeyAHJXDHKEVZFCGJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.89
Rot. Bonds2

About N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide

N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 28865303) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID28865303
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
SMILESNc1nc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-7-3-1-2-6(4-7)8-5-19-10(15)17-8/h1-5H,(H2,15,17)(H,16,18)
InChIKeyAHJXDHKEVZFCGJ-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
2,2,2-trifluoro-N-[3-(5-hydrazinylthiophen-3-yl)phenyl]acetamide
CID 45156804
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889793
4-(3-anilinophenyl)-1,3-thiazol-2-amine
CID 155427302
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 28865136
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 28865252
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 86634456
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide (CID 28865303) is N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide is Nc1nc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is AHJXDHKEVZFCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)9(18)16-7-3-1-2-6(4-7)8-5-19-10(15)17-8/h1-5H,(H2,15,17)(H,16,18).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 287.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 28865303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).