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

C14H17FN2S2 — CID 66053487

IUPAC1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(CSc2ccccc2F)nc1C
InChIInChI=1S/C14H17FN2S2/c1-9(16-3)14-10(2)17-13(19-14)8-18-12-7-5-4-6-11(12)15/h4-7,9,16H,8H2,1-3H3
InChIKeyMNKYUWROGDIUQK-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.16
Rot. Bonds5

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

1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 66053487) has the molecular formula C14H17FN2S2 and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID66053487
Molecular FormulaC14H17FN2S2
Molecular Weight296.44 g/mol
Exact Mass296.08
IUPAC Name1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(CSc2ccccc2F)nc1C
InChIInChI=1S/C14H17FN2S2/c1-9(16-3)14-10(2)17-13(19-14)8-18-12-7-5-4-6-11(12)15/h4-7,9,16H,8H2,1-3H3
InChIKeyMNKYUWROGDIUQK-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 66053487) is 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(CSc2ccccc2F)nc1C.
What is the InChIKey of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is MNKYUWROGDIUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S2/c1-9(16-3)14-10(2)17-13(19-14)8-18-12-7-5-4-6-11(12)15/h4-7,9,16H,8H2,1-3H3.
What are the key properties of 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 66053487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).