N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide

C7H7F2N3O2S — CID 156507566

IUPACN'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)C(F)F)s1
InChIInChI=1S/C7H7F2N3O2S/c1-3-2-10-7(15-3)6(14)12-11-5(13)4(8)9/h2,4H,1H3,(H,11,13)(H,12,14)
InChIKeyCBOLAPWXBGXMFB-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.48
Rot. Bonds2

About N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide

N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide (PubChem CID 156507566) has the molecular formula C7H7F2N3O2S and a molecular weight of 235.22 g/mol. Its IUPAC name is N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide
PubChem CID156507566
Molecular FormulaC7H7F2N3O2S
Molecular Weight235.22 g/mol
Exact Mass235.02
IUPAC NameN'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide
SMILESCc1cnc(C(=O)NNC(=O)C(F)F)s1
InChIInChI=1S/C7H7F2N3O2S/c1-3-2-10-7(15-3)6(14)12-11-5(13)4(8)9/h2,4H,1H3,(H,11,13)(H,12,14)
InChIKeyCBOLAPWXBGXMFB-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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Related Compounds

5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 70669497
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
N-ethyl-5-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 150180586
5-(Difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168885480
5-Methylthiazole-2-carboxamide
CID 22367510
5-Methyl-1,3-thiazole-2-carbohydrazide
CID 45122722
1,1-Dimethylethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbonyl]hydrazinecarboxylate
CID 66599382
2-Methylpropyl-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
CID 66599383
N',5-dimethyl-1,3-thiazole-2-carbohydrazide
CID 70669501
CID 88889294
CID 88889294
N-iodo-5-methyl-1,3-thiazole-2-carboxamide
CID 130207524
[(5-Methyl-1,3-thiazole-2-carbonyl)amino]carbamic acid
CID 134543464

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide (CID 156507566) is N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide is Cc1cnc(C(=O)NNC(=O)C(F)F)s1.
What is the InChIKey of N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide?
The InChIKey is CBOLAPWXBGXMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2S/c1-3-2-10-7(15-3)6(14)12-11-5(13)4(8)9/h2,4H,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-carbohydrazide?
N'-(2,2-difluoroacetyl)-5-methyl-1,3-thiazole-2-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)-5-methyl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 156507566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).