2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide

C16H9ClF3N3O2S2 — CID 6733312

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1)c1ccsc1
InChIInChI=1S/C16H9ClF3N3O2S2/c17-11-5-9(16(18,19)20)1-2-10(11)15-21-12(7-27-15)14(25)23-22-13(24)8-3-4-26-6-8/h1-7H,(H,22,24)(H,23,25)
InChIKeyFKUWTWFYCLHARS-UHFFFAOYSA-N
MW431.85 g/mol
LogP4.62
Rot. Bonds3

About 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide

2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 6733312) has the molecular formula C16H9ClF3N3O2S2 and a molecular weight of 431.85 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID6733312
Molecular FormulaC16H9ClF3N3O2S2
Molecular Weight431.85 g/mol
Exact Mass430.98
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1)c1ccsc1
InChIInChI=1S/C16H9ClF3N3O2S2/c17-11-5-9(16(18,19)20)1-2-10(11)15-21-12(7-27-15)14(25)23-22-13(24)8-3-4-26-6-8/h1-7H,(H,22,24)(H,23,25)
InChIKeyFKUWTWFYCLHARS-UHFFFAOYSA-N
XLogP4.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.85
LogP ≤ 54.62
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 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 6733312) is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1)c1ccsc1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is FKUWTWFYCLHARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2S2/c17-11-5-9(16(18,19)20)1-2-10(11)15-21-12(7-27-15)14(25)23-22-13(24)8-3-4-26-6-8/h1-7H,(H,22,24)(H,23,25).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 431.85 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 6733312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).