N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride

C19H16ClFN4OS — CID 22347716

IUPACN-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)Nc2ccc(C#N)cc2)cs/c1=N\c1ccccc1F
InChIInChI=1S/C19H15FN4OS.ClH/c1-24-15(10-18(25)22-14-8-6-13(11-21)7-9-14)12-26-19(24)23-17-5-3-2-4-16(17)20;/h2-9,12H,10H2,1H3,(H,22,25);1H/b23-19-;
InChIKeyUFOQQJGTIXPBGE-PDEWKSAASA-N
MW402.88 g/mol
LogP3.93
Rot. Bonds4

About N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride

N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride (PubChem CID 22347716) has the molecular formula C19H16ClFN4OS and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
PubChem CID22347716
Molecular FormulaC19H16ClFN4OS
Molecular Weight402.88 g/mol
Exact Mass402.07
IUPAC NameN-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)Nc2ccc(C#N)cc2)cs/c1=N\c1ccccc1F
InChIInChI=1S/C19H15FN4OS.ClH/c1-24-15(10-18(25)22-14-8-6-13(11-21)7-9-14)12-26-19(24)23-17-5-3-2-4-16(17)20;/h2-9,12H,10H2,1H3,(H,22,25);1H/b23-19-;
InChIKeyUFOQQJGTIXPBGE-PDEWKSAASA-N
XLogP3.93
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-[3-methyl-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]acetamide
CID 22347669
2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-nitrophenyl)acetamide;hydrochloride
CID 22347741
2-[3-methyl-2-(3-propan-2-yloxyphenyl)imino-1,3-thiazol-4-yl]-N-phenylacetamide
CID 11246012
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-[2-(1-adamantylimino)-3-methyl-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 46863035
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 24855407
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-[4-(4-cyanoanilino)phenyl]-2-fluorobenzamide
CID 112990032
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride (CID 22347716) is N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride is Cl.Cn1c(CC(=O)Nc2ccc(C#N)cc2)cs/c1=N\c1ccccc1F.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
The InChIKey is UFOQQJGTIXPBGE-PDEWKSAASA-N. The full InChI is InChI=1S/C19H15FN4OS.ClH/c1-24-15(10-18(25)22-14-8-6-13(11-21)7-9-14)12-26-19(24)23-17-5-3-2-4-16(17)20;/h2-9,12H,10H2,1H3,(H,22,25);1H/b23-19-;.
What are the key properties of N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride?
N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride has a molecular weight of 402.88 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2-(2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 22347716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).