4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide

C10H13FN4O2S — CID 121303668

IUPAC4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1
InChIInChI=1S/C10H13FN4O2S/c11-6-1-3-15(4-2-6)10(17)7-5-18-9(13-7)8(16)14-12/h5-6H,1-4,12H2,(H,14,16)
InChIKeyXFMIHRUZJHTMQS-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.32
Rot. Bonds2

About 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide

4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 121303668) has the molecular formula C10H13FN4O2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide
PubChem CID121303668
Molecular FormulaC10H13FN4O2S
Molecular Weight272.30 g/mol
Exact Mass272.07
IUPAC Name4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1
InChIInChI=1S/C10H13FN4O2S/c11-6-1-3-15(4-2-6)10(17)7-5-18-9(13-7)8(16)14-12/h5-6H,1-4,12H2,(H,14,16)
InChIKeyXFMIHRUZJHTMQS-UHFFFAOYSA-N
XLogP0.32
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.32
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

2-(4,4-Difluoropiperidin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67449625
4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)thiazole-2-carbohydrazide
CID 121303819
4-(4,4-Difluoropiperidine-1-carbonyl)-N'-(2-hydroxy-2-methylpropanoyl)thiazole-2-carbohydrazide
CID 121303911
4-(4,4-Difluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121304030
1-[4-(4,4-Difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone
CID 121308347
Piperidin-1-yl-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 175796344
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63579073
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583366
4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585009
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585223
4-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 65545256

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide (CID 121303668) is 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1.
What is the InChIKey of 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is XFMIHRUZJHTMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2S/c11-6-1-3-15(4-2-6)10(17)7-5-18-9(13-7)8(16)14-12/h5-6H,1-4,12H2,(H,14,16).
What are the key properties of 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide?
4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 272.30 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 121303668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).