4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide

C19H18FN3O2S2 — CID 9076252

IUPAC4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)sc1C
InChIInChI=1S/C19H18FN3O2S2/c1-3-12-8-16(27-11(12)2)18(25)23-22-17(24)9-15-10-26-19(21-15)13-4-6-14(20)7-5-13/h4-8,10H,3,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPQASNTRZYKYHPU-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.89
Rot. Bonds5

About 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide

4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 9076252) has the molecular formula C19H18FN3O2S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide
PubChem CID9076252
Molecular FormulaC19H18FN3O2S2
Molecular Weight403.50 g/mol
Exact Mass403.08
IUPAC Name4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)sc1C
InChIInChI=1S/C19H18FN3O2S2/c1-3-12-8-16(27-11(12)2)18(25)23-22-17(24)9-15-10-26-19(21-15)13-4-6-14(20)7-5-13/h4-8,10H,3,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPQASNTRZYKYHPU-UHFFFAOYSA-N
XLogP3.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide (CID 9076252) is 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)Cc2csc(-c3ccc(F)cc3)n2)sc1C.
What is the InChIKey of 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is PQASNTRZYKYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S2/c1-3-12-8-16(27-11(12)2)18(25)23-22-17(24)9-15-10-26-19(21-15)13-4-6-14(20)7-5-13/h4-8,10H,3,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide?
4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 403.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9076252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).