(Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine

C14H13FN4S — CID 145312432

IUPAC(Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine
SMILES[H]/N=C(\c1ncsc1/N=C\C)N1CCc2cc(F)ccc21
InChIInChI=1S/C14H13FN4S/c1-2-17-14-12(18-8-20-14)13(16)19-6-5-9-7-10(15)3-4-11(9)19/h2-4,7-8,16H,5-6H2,1H3/b16-13+,17-2-
InChIKeyPUDJYRJCPRQVGQ-XDAOSNNLSA-N
MW288.35 g/mol
LogP3.39
Rot. Bonds2

About (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine

(Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine (PubChem CID 145312432) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine
PubChem CID145312432
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name(Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine
SMILES[H]/N=C(\c1ncsc1/N=C\C)N1CCc2cc(F)ccc21
InChIInChI=1S/C14H13FN4S/c1-2-17-14-12(18-8-20-14)13(16)19-6-5-9-7-10(15)3-4-11(9)19/h2-4,7-8,16H,5-6H2,1H3/b16-13+,17-2-
InChIKeyPUDJYRJCPRQVGQ-XDAOSNNLSA-N
XLogP3.39
TPSA52.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine?
The IUPAC name of (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine (CID 145312432) is (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine.
What is the SMILES notation for (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine?
The canonical SMILES for (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine is [H]/N=C(\c1ncsc1/N=C\C)N1CCc2cc(F)ccc21.
What is the InChIKey of (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine?
The InChIKey is PUDJYRJCPRQVGQ-XDAOSNNLSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-2-17-14-12(18-8-20-14)13(16)19-6-5-9-7-10(15)3-4-11(9)19/h2-4,7-8,16H,5-6H2,1H3/b16-13+,17-2-.
What are the key properties of (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine?
(Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine has a molecular weight of 288.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(5-fluoro-2,3-dihydroindole-1-carboximidoyl)-1,3-thiazol-5-yl]ethanimine is sourced from PubChem (CID 145312432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).