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

C10H7F3N2OS — CID 2737731

IUPAC4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-6(2-4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15)
InChIKeyPWVLBESTTRJTFT-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.29
Rot. Bonds2

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

4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 2737731) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID2737731
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-6(2-4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15)
InChIKeyPWVLBESTTRJTFT-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 2737731) is 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is PWVLBESTTRJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)16-7-3-1-6(2-4-7)8-5-17-9(14)15-8/h1-5H,(H2,14,15).
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
4-[4-(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-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2737731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).