N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide

C17H13N3OS — CID 134831198

IUPACN-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide
SMILESN#Cc1ccccc1N1CCS/C1=N\C(=O)c1ccccc1
InChIInChI=1S/C17H13N3OS/c18-12-14-8-4-5-9-15(14)20-10-11-22-17(20)19-16(21)13-6-2-1-3-7-13/h1-9H,10-11H2/b19-17-
InChIKeyLCYUABHHZNXLBU-ZPHPHTNESA-N
MW307.38 g/mol
LogP3.31
Rot. Bonds2

About N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide

N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 134831198) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID134831198
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide
SMILESN#Cc1ccccc1N1CCS/C1=N\C(=O)c1ccccc1
InChIInChI=1S/C17H13N3OS/c18-12-14-8-4-5-9-15(14)20-10-11-22-17(20)19-16(21)13-6-2-1-3-7-13/h1-9H,10-11H2/b19-17-
InChIKeyLCYUABHHZNXLBU-ZPHPHTNESA-N
XLogP3.31
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyanophenyl)pyrazole-4-carboxylic acid
CID 53415450
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
2-[1-(2-cyanophenyl)azetidin-3-yl]acetic acid
CID 64617866
2-(2,3-dioxopiperazin-1-yl)benzonitrile
CID 117306341
2-(2-cyanophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 134499580
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
2-[4-[4-(1,3-dihydroisoindol-2-yl)benzoyl]piperazin-1-yl]benzonitrile
CID 141336856
2-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 55265767
2-[4-[3-(dimethylamino)benzoyl]-2-oxopiperazin-1-yl]benzonitrile
CID 70777088
6-[4-(2-cyanophenyl)piperazin-1-yl]hexanoic acid
CID 69145059
2-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)benzonitrile
CID 110713083

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide (CID 134831198) is N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide is N#Cc1ccccc1N1CCS/C1=N\C(=O)c1ccccc1.
What is the InChIKey of N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is LCYUABHHZNXLBU-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13N3OS/c18-12-14-8-4-5-9-15(14)20-10-11-22-17(20)19-16(21)13-6-2-1-3-7-13/h1-9H,10-11H2/b19-17-.
What are the key properties of N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide?
N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 307.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyanophenyl)-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 134831198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).