4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide

C13H15FN4OS — CID 63584494

IUPAC4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCN(Cc1csc(C(=O)NN)n1)c1cccc(F)c1
InChIInChI=1S/C13H15FN4OS/c1-2-18(11-5-3-4-9(14)6-11)7-10-8-20-13(16-10)12(19)17-15/h3-6,8H,2,7,15H2,1H3,(H,17,19)
InChIKeyKSRNIAXPLVJGLS-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.91
Rot. Bonds5

About 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide

4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63584494) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63584494
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCN(Cc1csc(C(=O)NN)n1)c1cccc(F)c1
InChIInChI=1S/C13H15FN4OS/c1-2-18(11-5-3-4-9(14)6-11)7-10-8-20-13(16-10)12(19)17-15/h3-6,8H,2,7,15H2,1H3,(H,17,19)
InChIKeyKSRNIAXPLVJGLS-UHFFFAOYSA-N
XLogP1.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.91
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-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63568512
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide (CID 63584494) is 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide is CCN(Cc1csc(C(=O)NN)n1)c1cccc(F)c1.
What is the InChIKey of 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is KSRNIAXPLVJGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-2-18(11-5-3-4-9(14)6-11)7-10-8-20-13(16-10)12(19)17-15/h3-6,8H,2,7,15H2,1H3,(H,17,19).
What are the key properties of 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 294.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63584494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).