N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C16H11N3OS2 — CID 8927230

IUPACN-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C16H11N3OS2/c17-8-11-2-1-3-13(6-11)18-15(20)7-14-10-22-16(19-14)12-4-5-21-9-12/h1-6,9-10H,7H2,(H,18,20)
InChIKeyJNAOGLHGDXTPGI-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.92
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 8927230) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID8927230
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC NameN-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C16H11N3OS2/c17-8-11-2-1-3-13(6-11)18-15(20)7-14-10-22-16(19-14)12-4-5-21-9-12/h1-6,9-10H,7H2,(H,18,20)
InChIKeyJNAOGLHGDXTPGI-UHFFFAOYSA-N
XLogP3.92
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110374780
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 47776659
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51949429
tert-butyl N-methyl-N-[[3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55647682
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 37015475
N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55904917
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389703
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55825141

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 8927230) is N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is N#Cc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JNAOGLHGDXTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c17-8-11-2-1-3-13(6-11)18-15(20)7-14-10-22-16(19-14)12-4-5-21-9-12/h1-6,9-10H,7H2,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 8927230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).