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

C19H16FN3O2S2 — CID 9076306

IUPAC(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
SMILESCc1ccsc1/C=C/C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O2S2/c1-12-8-9-26-16(12)6-7-17(24)22-23-18(25)10-15-11-27-19(21-15)13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25)/b7-6+
InChIKeyQGEAZOHQHVLBBB-VOTSOKGWSA-N
MW401.49 g/mol
LogP3.72
Rot. Bonds5

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

(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide (PubChem CID 9076306) has the molecular formula C19H16FN3O2S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
PubChem CID9076306
Molecular FormulaC19H16FN3O2S2
Molecular Weight401.49 g/mol
Exact Mass401.07
IUPAC Name(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide
SMILESCc1ccsc1/C=C/C(=O)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H16FN3O2S2/c1-12-8-9-26-16(12)6-7-17(24)22-23-18(25)10-15-11-27-19(21-15)13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25)/b7-6+
InChIKeyQGEAZOHQHVLBBB-VOTSOKGWSA-N
XLogP3.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.72
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-(3-methylthiophen-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide (CID 9076306) is (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide is Cc1ccsc1/C=C/C(=O)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-(3-methylthiophen-2-yl)prop-2-enehydrazide?
The InChIKey is QGEAZOHQHVLBBB-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H16FN3O2S2/c1-12-8-9-26-16(12)6-7-17(24)22-23-18(25)10-15-11-27-19(21-15)13-2-4-14(20)5-3-13/h2-9,11H,10H2,1H3,(H,22,24)(H,23,25)/b7-6+.
What are the key properties of (E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide?
(E)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-(3-methylthiophen-2-yl)prop-2-enehydrazide has a molecular weight of 401.49 g/mol, XLogP of 3.72, 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-(3-methylthiophen-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 9076306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).