2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide

C18H20FN3OS — CID 8882439

IUPAC2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN3OS/c1-12-4-2-3-5-16(12)21-22-17(23)10-15-11-24-18(20-15)13-6-8-14(19)9-7-13/h6-9,11-12H,2-5,10H2,1H3,(H,22,23)/b21-16-/t12-/m0/s1
InChIKeyOSYFQFCLMCSHHM-SOFNNGJSSA-N
MW345.44 g/mol
LogP4.17
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide (PubChem CID 8882439) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
PubChem CID8882439
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)Cc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN3OS/c1-12-4-2-3-5-16(12)21-22-17(23)10-15-11-24-18(20-15)13-6-8-14(19)9-7-13/h6-9,11-12H,2-5,10H2,1H3,(H,22,23)/b21-16-/t12-/m0/s1
InChIKeyOSYFQFCLMCSHHM-SOFNNGJSSA-N
XLogP4.17
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
1-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8560638
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135702470
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]acetamide
CID 8882713
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796
N-(2,3-dihydro-1H-inden-1-yl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17439358
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 40812760
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882365
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide (CID 8882439) is 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide is C[C@H]1CCCC/C1=N/NC(=O)Cc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The InChIKey is OSYFQFCLMCSHHM-SOFNNGJSSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-12-4-2-3-5-16(12)21-22-17(23)10-15-11-24-18(20-15)13-6-8-14(19)9-7-13/h6-9,11-12H,2-5,10H2,1H3,(H,22,23)/b21-16-/t12-/m0/s1.
What are the key properties of 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide has a molecular weight of 345.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 8882439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).