2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide

C9H12F2N4OS — CID 67449625

IUPAC2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H12F2N4OS/c10-9(11)1-3-15(4-2-9)8-13-6(5-17-8)7(16)14-12/h5H,1-4,12H2,(H,14,16)
InChIKeyNEIOJWVKOAPEHX-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.98
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide

2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide (PubChem CID 67449625) has the molecular formula C9H12F2N4OS and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide
PubChem CID67449625
Molecular FormulaC9H12F2N4OS
Molecular Weight262.28 g/mol
Exact Mass262.07
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H12F2N4OS/c10-9(11)1-3-15(4-2-9)8-13-6(5-17-8)7(16)14-12/h5H,1-4,12H2,(H,14,16)
InChIKeyNEIOJWVKOAPEHX-UHFFFAOYSA-N
XLogP0.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[4-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 171342306
N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 171348375
N-[4-[[3-(4-methylpiperazin-1-yl)propanoylamino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 171355146
N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 171356115
2-(Morpholin-4-yl)-1,3-thiazole-4-carbohydrazide
CID 2113379
N,N-Dimethyl-2-(piperidin-1-YL)-1,3-thiazole-4-carboxamide
CID 53015913
4-(4-Fluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121303668
4-(4,4-Difluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121304030
2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 39162561
4-{[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]carbonyl}-1,3-thiazol-2-amine
CID 55116397
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide
CID 55649625
2-(3-Fluoropiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 126796066

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide (CID 67449625) is 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is NEIOJWVKOAPEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4OS/c10-9(11)1-3-15(4-2-9)8-13-6(5-17-8)7(16)14-12/h5H,1-4,12H2,(H,14,16).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide?
2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 262.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 67449625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).