4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide

C11H9F3N4O2S — CID 81311109

IUPAC4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(Cn2c(C(F)(F)F)cccc2=O)cs1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)7-2-1-3-8(19)18(7)4-6-5-21-10(16-6)9(20)17-15/h1-3,5H,4,15H2,(H,17,20)
InChIKeySVXCJLVEJRNSGQ-UHFFFAOYSA-N
MW318.28 g/mol
LogP0.98
Rot. Bonds3

About 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide

4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 81311109) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID81311109
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(Cn2c(C(F)(F)F)cccc2=O)cs1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)7-2-1-3-8(19)18(7)4-6-5-21-10(16-6)9(20)17-15/h1-3,5H,4,15H2,(H,17,20)
InChIKeySVXCJLVEJRNSGQ-UHFFFAOYSA-N
XLogP0.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 121577427
4-(4-Fluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121303668
4-(4,4-Difluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121304030
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 146323312
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212279
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55215204
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63578538
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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide (CID 81311109) is 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(Cn2c(C(F)(F)F)cccc2=O)cs1.
What is the InChIKey of 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is SVXCJLVEJRNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c12-11(13,14)7-2-1-3-8(19)18(7)4-6-5-21-10(16-6)9(20)17-15/h1-3,5H,4,15H2,(H,17,20).
What are the key properties of 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 318.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-6-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 81311109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).