5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine

C10H8F2N2OS — CID 88664597

IUPAC5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(C(F)(F)Oc2ccccc2)s1
InChIInChI=1S/C10H8F2N2OS/c11-10(12,8-6-14-9(13)16-8)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14)
InChIKeyGTVDJICVCKHKMB-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.85
Rot. Bonds3

About 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine

5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 88664597) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID88664597
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(C(F)(F)Oc2ccccc2)s1
InChIInChI=1S/C10H8F2N2OS/c11-10(12,8-6-14-9(13)16-8)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14)
InChIKeyGTVDJICVCKHKMB-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine (CID 88664597) is 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine is Nc1ncc(C(F)(F)Oc2ccccc2)s1.
What is the InChIKey of 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is GTVDJICVCKHKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-10(12,8-6-14-9(13)16-8)15-7-4-2-1-3-5-7/h1-6H,(H2,13,14).
What are the key properties of 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine?
5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 242.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(phenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88664597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).