2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide

C11H7ClF3N3OS — CID 2739579

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H7ClF3N3OS/c12-7-3-5(11(13,14)15)1-2-6(7)10-17-8(4-20-10)9(19)18-16/h1-4H,16H2,(H,18,19)
InChIKeyXEFGFALNYQPUBX-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.09
Rot. Bonds2

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

2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 2739579) has the molecular formula C11H7ClF3N3OS and a molecular weight of 321.71 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
PubChem CID2739579
Molecular FormulaC11H7ClF3N3OS
Molecular Weight321.71 g/mol
Exact Mass321.00
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H7ClF3N3OS/c12-7-3-5(11(13,14)15)1-2-6(7)10-17-8(4-20-10)9(19)18-16/h1-4H,16H2,(H,18,19)
InChIKeyXEFGFALNYQPUBX-UHFFFAOYSA-N
XLogP3.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 1478836
N1-methyl-2-({2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}carbonyl)hydrazine-1-carboxamide
CID 2739729
2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 2726957
N'-(2-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide
CID 47445159
N'-(3-chlorobenzoyl)-2-methyl-1,3-thiazole-4-carbohydrazide
CID 145975440
2-[4-(1,3-Dithiolan-2-yl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 2744372
2-[(2,6-Dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide
CID 2743882
2-[2-chloro-4-(trifluoromethyl)phenyl]-N'-(thiophene-3-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 6733312
2-(2,4-Difluorophenyl)thiazole-4-carbohydrazide
CID 2744035
2-(4-Fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 67449843
2-(3-Fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 67450636

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide (CID 2739579) is 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is XEFGFALNYQPUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3OS/c12-7-3-5(11(13,14)15)1-2-6(7)10-17-8(4-20-10)9(19)18-16/h1-4H,16H2,(H,18,19).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide?
2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 321.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2739579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).