4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

C10H7F3N2OS — CID 2760731

IUPAC4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15)
InChIKeyVYRFEJAFSZHYEI-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.29
Rot. Bonds2

About 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 2760731) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID2760731
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15)
InChIKeyVYRFEJAFSZHYEI-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(2,3-Dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 2758374
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
3-(2-Amino-1,3-thiazol-4-yl)phenol
CID 1497786

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 2760731) is 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2cccc(OC(F)(F)F)c2)cs1.
What is the InChIKey of 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is VYRFEJAFSZHYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-2-6(4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15).
What are the key properties of 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 260.24 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2760731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).