N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

C14H16F2N2S — CID 62403204

IUPACN-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C14H16F2N2S/c1-3-17-8-13-9(2)18-14(19-13)6-10-4-11(15)7-12(16)5-10/h4-5,7,17H,3,6,8H2,1-2H3
InChIKeyIFKGWPKOPJXNSL-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.43
Rot. Bonds5

About N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62403204) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62403204
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(Cc2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C14H16F2N2S/c1-3-17-8-13-9(2)18-14(19-13)6-10-4-11(15)7-12(16)5-10/h4-5,7,17H,3,6,8H2,1-2H3
InChIKeyIFKGWPKOPJXNSL-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 62403204) is N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(Cc2cc(F)cc(F)c2)nc1C.
What is the InChIKey of N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is IFKGWPKOPJXNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-3-17-8-13-9(2)18-14(19-13)6-10-4-11(15)7-12(16)5-10/h4-5,7,17H,3,6,8H2,1-2H3.
What are the key properties of N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62403204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).