2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine

C15H19FN2O2S — CID 82440536

IUPAC2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCOCc1nc(COc2ccccc2F)sc1C(C)(C)N
InChIInChI=1S/C15H19FN2O2S/c1-15(2,17)14-11(8-19-3)18-13(21-14)9-20-12-7-5-4-6-10(12)16/h4-7H,8-9,17H2,1-3H3
InChIKeyMFQZZIGDWLMFQV-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine

2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82440536) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82440536
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCOCc1nc(COc2ccccc2F)sc1C(C)(C)N
InChIInChI=1S/C15H19FN2O2S/c1-15(2,17)14-11(8-19-3)18-13(21-14)9-20-12-7-5-4-6-10(12)16/h4-7H,8-9,17H2,1-3H3
InChIKeyMFQZZIGDWLMFQV-UHFFFAOYSA-N
XLogP3.20
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine
CID 82440030
2-[(2-fluorophenoxy)methyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82431947
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188220
N-[[4-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429024
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82428956
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
1-[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82440458
2-[2-[(2-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426152
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82440536) is 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine is COCc1nc(COc2ccccc2F)sc1C(C)(C)N.
What is the InChIKey of 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is MFQZZIGDWLMFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-15(2,17)14-11(8-19-3)18-13(21-14)9-20-12-7-5-4-6-10(12)16/h4-7H,8-9,17H2,1-3H3.
What are the key properties of 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 310.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82440536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).