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

C15H19FN2S2 — CID 66053488

IUPACN-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(CSc2ccccc2F)nc1C
InChIInChI=1S/C15H19FN2S2/c1-4-17-10(2)15-11(3)18-14(20-15)9-19-13-8-6-5-7-12(13)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyRWJIZRBDIBGSSJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.55
Rot. Bonds6

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

N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 66053488) has the molecular formula C15H19FN2S2 and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID66053488
Molecular FormulaC15H19FN2S2
Molecular Weight310.46 g/mol
Exact Mass310.10
IUPAC NameN-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(CSc2ccccc2F)nc1C
InChIInChI=1S/C15H19FN2S2/c1-4-17-10(2)15-11(3)18-14(20-15)9-19-13-8-6-5-7-12(13)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyRWJIZRBDIBGSSJ-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 66053488) is N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(CSc2ccccc2F)nc1C.
What is the InChIKey of N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RWJIZRBDIBGSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S2/c1-4-17-10(2)15-11(3)18-14(20-15)9-19-13-8-6-5-7-12(13)16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 310.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 66053488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).