5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide

C15H13FN4O2S — CID 17411234

IUPAC5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
SMILESCc1ccc(F)cc1C(=O)NNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C15H13FN4O2S/c1-9-2-3-10(16)6-12(9)14(22)19-18-13(21)7-11-8-20-4-5-23-15(20)17-11/h2-6,8H,7H2,1H3,(H,18,21)(H,19,22)
InChIKeyCGENKPKYBVGPMB-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.85
Rot. Bonds3

About 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide

5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide (PubChem CID 17411234) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide.

Molecular Properties

Compound Name5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
PubChem CID17411234
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
SMILESCc1ccc(F)cc1C(=O)NNC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C15H13FN4O2S/c1-9-2-3-10(16)6-12(9)14(22)19-18-13(21)7-11-8-20-4-5-23-15(20)17-11/h2-6,8H,7H2,1H3,(H,18,21)(H,19,22)
InChIKeyCGENKPKYBVGPMB-UHFFFAOYSA-N
XLogP1.85
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.85
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

N'-(2,4-difluorophenyl)sulfonyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetohydrazide
CID 8505191
4-bromo-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-methylpyrrole-2-carbohydrazide
CID 27683813
2-(4-chlorophenyl)-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)acetohydrazide
CID 27683802
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
N'-(2,4-dimethylphenyl)sulfonyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetohydrazide
CID 8505231
N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 34299210
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 134025216
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 9266743
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 121122860
2-imidazo[2,1-b][1,3]thiazol-6-yl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8505262
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide?
The IUPAC name of 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide (CID 17411234) is 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide.
What is the SMILES notation for 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide?
The canonical SMILES for 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide is Cc1ccc(F)cc1C(=O)NNC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide?
The InChIKey is CGENKPKYBVGPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-9-2-3-10(16)6-12(9)14(22)19-18-13(21)7-11-8-20-4-5-23-15(20)17-11/h2-6,8H,7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide?
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide has a molecular weight of 332.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide is sourced from PubChem (CID 17411234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).