(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide

C18H14FN3O2S2 — CID 9076326

IUPAC(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide
SMILESO=C(/C=C/c1cccs1)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN3O2S2/c19-13-5-3-12(4-6-13)18-20-14(11-26-18)10-17(24)22-21-16(23)8-7-15-2-1-9-25-15/h1-9,11H,10H2,(H,21,23)(H,22,24)/b8-7+
InChIKeyRTQMVJDBKVHGHN-BQYQJAHWSA-N
MW387.46 g/mol
LogP3.41
Rot. Bonds5

About (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide

(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide (PubChem CID 9076326) has the molecular formula C18H14FN3O2S2 and a molecular weight of 387.46 g/mol. Its IUPAC name is (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide
PubChem CID9076326
Molecular FormulaC18H14FN3O2S2
Molecular Weight387.46 g/mol
Exact Mass387.05
IUPAC Name(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide
SMILESO=C(/C=C/c1cccs1)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN3O2S2/c19-13-5-3-12(4-6-13)18-20-14(11-26-18)10-17(24)22-21-16(23)8-7-15-2-1-9-25-15/h1-9,11H,10H2,(H,21,23)(H,22,24)/b8-7+
InChIKeyRTQMVJDBKVHGHN-BQYQJAHWSA-N
XLogP3.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide (CID 9076326) is (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide is O=C(/C=C/c1cccs1)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
The InChIKey is RTQMVJDBKVHGHN-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H14FN3O2S2/c19-13-5-3-12(4-6-13)18-20-14(11-26-18)10-17(24)22-21-16(23)8-7-15-2-1-9-25-15/h1-9,11H,10H2,(H,21,23)(H,22,24)/b8-7+.
What are the key properties of (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide?
(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide has a molecular weight of 387.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-thiophen-2-ylprop-2-enehydrazide is sourced from PubChem (CID 9076326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).