1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C14H17FN2OS — CID 82429042

IUPAC1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(COc2ccc(F)cc2)sc1CNC
InChIInChI=1S/C14H17FN2OS/c1-3-12-13(8-16-2)19-14(17-12)9-18-11-6-4-10(15)5-7-11/h4-7,16H,3,8-9H2,1-2H3
InChIKeyPRAGYJOBEJSUJO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.14
Rot. Bonds6

About 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82429042) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82429042
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(COc2ccc(F)cc2)sc1CNC
InChIInChI=1S/C14H17FN2OS/c1-3-12-13(8-16-2)19-14(17-12)9-18-11-6-4-10(15)5-7-11/h4-7,16H,3,8-9H2,1-2H3
InChIKeyPRAGYJOBEJSUJO-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82428977
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
1-[2-[(4-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363402
N-[[4-ethyl-2-[(2-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429024
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 113459583
2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82431968

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82429042) is 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(COc2ccc(F)cc2)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is PRAGYJOBEJSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-3-12-13(8-16-2)19-14(17-12)9-18-11-6-4-10(15)5-7-11/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82429042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).