N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide

C14H14FN3O2S — CID 4082278

IUPACN'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1sc(=O)n(C)c1C)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2S/c1-8(10-4-6-11(15)7-5-10)16-17-13(19)12-9(2)18(3)14(20)21-12/h4-7,16H,1H2,2-3H3,(H,17,19)
InChIKeySKDABSGTYJYJPQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.80
Rot. Bonds4

About N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide

N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide (PubChem CID 4082278) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide
PubChem CID4082278
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC NameN'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide
SMILESC=C(NNC(=O)c1sc(=O)n(C)c1C)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2S/c1-8(10-4-6-11(15)7-5-10)16-17-13(19)12-9(2)18(3)14(20)21-12/h4-7,16H,1H2,2-3H3,(H,17,19)
InChIKeySKDABSGTYJYJPQ-UHFFFAOYSA-N
XLogP1.80
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-phenyl-1H-pyrazol-5-ol
CID 2113959
1-methyl-3-phenyl-1H-pyrazol-5-ol
CID 2763504
N-butyl-3-[(2-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46948010
5-(4-Fluorophenyl)-1-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 21867277
1,1-Dimethyl-3-phenyl-1H-1lambda(5)-pyrazol-5-ol
CID 425874
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-carboxamide
CID 84323642
N-butyl-3-[(4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 132467514
N-butyl-3-[(3-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 132468159
4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one
CID 12859033
4-fluoro-2-methyl-5-(4-methylphenyl)-1H-pyrazol-3-one
CID 12859034
4-fluoro-2-methyl-5-(3-methylphenyl)-1H-pyrazol-3-one
CID 12859037
4-fluoro-5-(4-fluorophenyl)-2-methyl-1H-pyrazol-3-one
CID 12859038

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide (CID 4082278) is N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide is C=C(NNC(=O)c1sc(=O)n(C)c1C)c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide?
The InChIKey is SKDABSGTYJYJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-8(10-4-6-11(15)7-5-10)16-17-13(19)12-9(2)18(3)14(20)21-12/h4-7,16H,1H2,2-3H3,(H,17,19).
What are the key properties of N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide?
N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide has a molecular weight of 307.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)ethenyl]-3,4-dimethyl-2-oxo-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 4082278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).