N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

C13H13FN6OS — CID 9057964

IUPACN-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(/C=N\N=C(N)N)cs1)c1ccccc1F
InChIInChI=1S/C13H13FN6OS/c1-8(21)20(11-5-3-2-4-10(11)14)13-18-9(7-22-13)6-17-19-12(15)16/h2-7H,1H3,(H4,15,16,19)/b17-6-
InChIKeyLNXPFWMFSSKFOW-FMQZQXMHSA-N
MW320.35 g/mol
LogP1.57
Rot. Bonds4

About N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide

N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 9057964) has the molecular formula C13H13FN6OS and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
PubChem CID9057964
Molecular FormulaC13H13FN6OS
Molecular Weight320.35 g/mol
Exact Mass320.09
IUPAC NameN-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(c1nc(/C=N\N=C(N)N)cs1)c1ccccc1F
InChIInChI=1S/C13H13FN6OS/c1-8(21)20(11-5-3-2-4-10(11)14)13-18-9(7-22-13)6-17-19-12(15)16/h2-7H,1H3,(H4,15,16,19)/b17-6-
InChIKeyLNXPFWMFSSKFOW-FMQZQXMHSA-N
XLogP1.57
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide 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

N-(2-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090927
N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 9077876
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 3852304
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 8833043
N-(2-fluorophenyl)-N-[4-[(E)-[2-(2-methylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 43012017
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-prop-2-ynylprop-2-enamide
CID 78792207
N-(2-fluorophenyl)-N-[4-[(E)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 167955239
N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 24510243
N-[4-[(E)-3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 9448432
(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-chlorophenyl)prop-2-enamide
CID 26574932
(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-bromophenyl)prop-2-enamide
CID 26536780
(2S)-1-[(E)-3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
CID 9108212

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide (CID 9057964) is N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is CC(=O)N(c1nc(/C=N\N=C(N)N)cs1)c1ccccc1F.
What is the InChIKey of N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is LNXPFWMFSSKFOW-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H13FN6OS/c1-8(21)20(11-5-3-2-4-10(11)14)13-18-9(7-22-13)6-17-19-12(15)16/h2-7H,1H3,(H4,15,16,19)/b17-6-.
What are the key properties of N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide?
N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 9057964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).