1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine

C12H13FN2S2 — CID 66071693

IUPAC1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(CSc2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2S2/c1-8(14)11-6-15-12(17-11)7-16-10-4-2-3-9(13)5-10/h2-6,8H,7,14H2,1H3
InChIKeyHKKRCHQTQVPVNS-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.59
Rot. Bonds4

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

1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 66071693) has the molecular formula C12H13FN2S2 and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID66071693
Molecular FormulaC12H13FN2S2
Molecular Weight268.38 g/mol
Exact Mass268.05
IUPAC Name1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(CSc2cccc(F)c2)s1
InChIInChI=1S/C12H13FN2S2/c1-8(14)11-6-15-12(17-11)7-16-10-4-2-3-9(13)5-10/h2-6,8H,7,14H2,1H3
InChIKeyHKKRCHQTQVPVNS-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine (CID 66071693) is 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(CSc2cccc(F)c2)s1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HKKRCHQTQVPVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S2/c1-8(14)11-6-15-12(17-11)7-16-10-4-2-3-9(13)5-10/h2-6,8H,7,14H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 66071693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).