2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide

C10H7F2N3OS — CID 133061134

IUPAC2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C10H7F2N3OS/c11-5-1-2-6(7(12)3-5)10-14-4-8(17-10)9(16)15-13/h1-4H,13H2,(H,15,16)
InChIKeyVSERBGZCIIEMRW-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.69
Rot. Bonds2

About 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide

2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 133061134) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
PubChem CID133061134
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1cnc(-c2ccc(F)cc2F)s1
InChIInChI=1S/C10H7F2N3OS/c11-5-1-2-6(7(12)3-5)10-14-4-8(17-10)9(16)15-13/h1-4H,13H2,(H,15,16)
InChIKeyVSERBGZCIIEMRW-UHFFFAOYSA-N
XLogP1.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.69
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-(2,4-difluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2744035
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 18535011
ethyl (4S)-4-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]pentanoate
CID 97079223
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119170175
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
N-(2-carbamoyl-5-chlorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 99625926
2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 107931854
2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide (CID 133061134) is 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide is NNC(=O)c1cnc(-c2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is VSERBGZCIIEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-5-1-2-6(7(12)3-5)10-14-4-8(17-10)9(16)15-13/h1-4H,13H2,(H,15,16).
What are the key properties of 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide?
2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 255.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 133061134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).