4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine

C10H8F2N2OS — CID 43137897

IUPAC4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C10H8F2N2OS/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4H2,(H2,13,14)
InChIKeyAWVZMAQOAHBIBG-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.58
Rot. Bonds3

About 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine

4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 43137897) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID43137897
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C10H8F2N2OS/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4H2,(H2,13,14)
InChIKeyAWVZMAQOAHBIBG-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94280933
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
3-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-5-amine
CID 82080942
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
2-amino-4-[3-[(2,4-difluorophenoxy)methyl]-4-(sulfinatoamino)phenyl]-1,3-thiazole
CID 57315685
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911
2-chloro-4-[(2-fluorophenoxy)methyl]-1,3-thiazole
CID 130552659

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine (CID 43137897) is 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2ccc(F)cc2F)cs1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is AWVZMAQOAHBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-6-1-2-9(8(12)3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4H2,(H2,13,14).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine?
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 242.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43137897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).