(E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine

C15H16FN3S — CID 154638857

IUPAC(E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)CN1CCc2cc(-c3nccs3)ccc21
InChIInChI=1S/C15H16FN3S/c16-8-11(9-17)10-19-5-3-12-7-13(1-2-14(12)19)15-18-4-6-20-15/h1-2,4,6-8H,3,5,9-10,17H2/b11-8+
InChIKeySMCSRSARCAXJDD-DHZHZOJOSA-N
MW289.38 g/mol
LogP2.98
Rot. Bonds4

About (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine (PubChem CID 154638857) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine
PubChem CID154638857
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name(E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)CN1CCc2cc(-c3nccs3)ccc21
InChIInChI=1S/C15H16FN3S/c16-8-11(9-17)10-19-5-3-12-7-13(1-2-14(12)19)15-18-4-6-20-15/h1-2,4,6-8H,3,5,9-10,17H2/b11-8+
InChIKeySMCSRSARCAXJDD-DHZHZOJOSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine (CID 154638857) is (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine is NC/C(=C\F)CN1CCc2cc(-c3nccs3)ccc21.
What is the InChIKey of (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is SMCSRSARCAXJDD-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-8-11(9-17)10-19-5-3-12-7-13(1-2-14(12)19)15-18-4-6-20-15/h1-2,4,6-8H,3,5,9-10,17H2/b11-8+.
What are the key properties of (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[5-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 154638857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).