N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

C15H10FN3O2S2 — CID 8870785

IUPACN'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2ccsc2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2S2/c16-11-3-1-9(2-4-11)13(20)18-19-14(21)12-8-23-15(17-12)10-5-6-22-7-10/h1-8H,(H,18,20)(H,19,21)
InChIKeyMDABEKAHDZDQRF-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.09
Rot. Bonds3

About N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide

N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 8870785) has the molecular formula C15H10FN3O2S2 and a molecular weight of 347.40 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
PubChem CID8870785
Molecular FormulaC15H10FN3O2S2
Molecular Weight347.40 g/mol
Exact Mass347.02
IUPAC NameN'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2ccsc2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2S2/c16-11-3-1-9(2-4-11)13(20)18-19-14(21)12-8-23-15(17-12)10-5-6-22-7-10/h1-8H,(H,18,20)(H,19,21)
InChIKeyMDABEKAHDZDQRF-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.09
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 N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide (CID 8870785) is N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(-c2ccsc2)n1)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is MDABEKAHDZDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S2/c16-11-3-1-9(2-4-11)13(20)18-19-14(21)12-8-23-15(17-12)10-5-6-22-7-10/h1-8H,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide?
N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 347.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 8870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).