N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide

C21H20N4OS — CID 146088039

IUPACN-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide
SMILESCC(=O)NCCCn1c(-c2ccc(C#N)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C21H20N4OS/c1-16(26)23-12-5-13-25-20(18-10-8-17(14-22)9-11-18)15-27-21(25)24-19-6-3-2-4-7-19/h2-4,6-11,15H,5,12-13H2,1H3,(H,23,26)/b24-21-
InChIKeyAPZDLNHZVSDTBZ-FLFQWRMESA-N
MW376.49 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide

N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide (PubChem CID 146088039) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide
PubChem CID146088039
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide
SMILESCC(=O)NCCCn1c(-c2ccc(C#N)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C21H20N4OS/c1-16(26)23-12-5-13-25-20(18-10-8-17(14-22)9-11-18)15-27-21(25)24-19-6-3-2-4-7-19/h2-4,6-11,15H,5,12-13H2,1H3,(H,23,26)/b24-21-
InChIKeyAPZDLNHZVSDTBZ-FLFQWRMESA-N
XLogP3.85
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 142106126
N-[2-[2-(3-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]ethyl]acetamide
CID 44761837
actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide
CID 20815393
tert-butyl N-[3-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 22351001
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
3-butyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 3479785
N,N-dimethyl-3-(3-pentyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 2027730
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
CID 4996936
6-[2-phenylimino-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-yl]hexan-1-ol
CID 3492123
N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide
CID 20815487
N-[4-[3-[2-(oxolan-3-ylmethoxy)ethyl]-2-phenylimino-1,3-thiazol-4-yl]phenyl]acetamide
CID 146087542
2-[4-(4-nitrophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 71902601

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide?
The IUPAC name of N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide (CID 146088039) is N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide?
The canonical SMILES for N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide is CC(=O)NCCCn1c(-c2ccc(C#N)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide?
The InChIKey is APZDLNHZVSDTBZ-FLFQWRMESA-N. The full InChI is InChI=1S/C21H20N4OS/c1-16(26)23-12-5-13-25-20(18-10-8-17(14-22)9-11-18)15-27-21(25)24-19-6-3-2-4-7-19/h2-4,6-11,15H,5,12-13H2,1H3,(H,23,26)/b24-21-.
What are the key properties of N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide?
N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide has a molecular weight of 376.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyanophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]acetamide is sourced from PubChem (CID 146088039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).