4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide

C11H9F3N4O2S — CID 63578538

IUPAC4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)6-1-2-8(19)18(3-6)4-7-5-21-10(16-7)9(20)17-15/h1-3,5H,4,15H2,(H,17,20)
InChIKeySWGCUVPHMYPYJJ-UHFFFAOYSA-N
MW318.28 g/mol
LogP0.98
Rot. Bonds3

About 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide

4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63578538) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63578538
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)6-1-2-8(19)18(3-6)4-7-5-21-10(16-7)9(20)17-15/h1-3,5H,4,15H2,(H,17,20)
InChIKeySWGCUVPHMYPYJJ-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'}

Analyze 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 47492059
CID 47492059
CID 29527649
CID 29527649
CID 40316746
CID 40316746
CID 45841168
CID 45841168
CID 56043974
CID 56043974
CID 56083667
CID 56083667
CID 56880039
CID 56880039
CID 63279534
CID 63279534
CID 72046842
CID 72046842
CID 81311109
CID 81311109
CID 86905350
CID 86905350
CID 114489934
CID 114489934

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide (CID 63578538) is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1.
What is the InChIKey of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is SWGCUVPHMYPYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c12-11(13,14)6-1-2-8(19)18(3-6)4-7-5-21-10(16-7)9(20)17-15/h1-3,5H,4,15H2,(H,17,20).
What are the key properties of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[2-oxo-5-(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-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63578538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).