N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

C22H20FN3O2S — CID 9076127

IUPACN'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H20FN3O2S/c23-18-9-7-15(8-10-18)22-24-19(13-29-22)12-20(27)25-26-21(28)17-6-5-14-3-1-2-4-16(14)11-17/h5-11,13H,1-4,12H2,(H,25,27)(H,26,28)
InChIKeyTUWRCPIQHGDZMQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.83
Rot. Bonds4

About N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 9076127) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID9076127
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC NameN'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H20FN3O2S/c23-18-9-7-15(8-10-18)22-24-19(13-29-22)12-20(27)25-26-21(28)17-6-5-14-3-1-2-4-16(14)11-17/h5-11,13H,1-4,12H2,(H,25,27)(H,26,28)
InChIKeyTUWRCPIQHGDZMQ-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325
2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide
CID 9076340
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
1-(4-fluorophenyl)-3-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8560600
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
(3R)-4,4,4-trifluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-3-hydroxy-3-methylbutanehydrazide
CID 9076206
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135702470
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carbohydrazide
CID 42925083
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
CID 27662809

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 9076127) is N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is TUWRCPIQHGDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-18-9-7-15(8-10-18)22-24-19(13-29-22)12-20(27)25-26-21(28)17-6-5-14-3-1-2-4-16(14)11-17/h5-11,13H,1-4,12H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 409.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 9076127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).