N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide

C7H7F2N3O2S — CID 156507588

IUPACN'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)C(F)F)cs1
InChIInChI=1S/C7H7F2N3O2S/c1-3-10-4(2-15-3)6(13)11-12-7(14)5(8)9/h2,5H,1H3,(H,11,13)(H,12,14)
InChIKeyKKXJHOMFOMQBGM-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.48
Rot. Bonds2

About N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide

N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide (PubChem CID 156507588) has the molecular formula C7H7F2N3O2S and a molecular weight of 235.22 g/mol. Its IUPAC name is N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide
PubChem CID156507588
Molecular FormulaC7H7F2N3O2S
Molecular Weight235.22 g/mol
Exact Mass235.02
IUPAC NameN'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide
SMILESCc1nc(C(=O)NNC(=O)C(F)F)cs1
InChIInChI=1S/C7H7F2N3O2S/c1-3-10-4(2-15-3)6(13)11-12-7(14)5(8)9/h2,5H,1H3,(H,11,13)(H,12,14)
InChIKeyKKXJHOMFOMQBGM-UHFFFAOYSA-N
XLogP0.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide (CID 156507588) is N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide is Cc1nc(C(=O)NNC(=O)C(F)F)cs1.
What is the InChIKey of N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is KKXJHOMFOMQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2S/c1-3-10-4(2-15-3)6(13)11-12-7(14)5(8)9/h2,5H,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide?
N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 235.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 156507588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).