N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C21H14N2OS3 — CID 18208686

IUPACN-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C21H14N2OS3/c24-20(13-17-14-27-21(23-17)19-7-3-11-26-19)22-16-5-1-4-15(12-16)8-9-18-6-2-10-25-18/h1-7,10-12,14H,13H2,(H,22,24)
InChIKeyCVRIKVSEANENHV-UHFFFAOYSA-N
MW406.56 g/mol
LogP5.51
Rot. Bonds4

About N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 18208686) has the molecular formula C21H14N2OS3 and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID18208686
Molecular FormulaC21H14N2OS3
Molecular Weight406.56 g/mol
Exact Mass406.03
IUPAC NameN-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C21H14N2OS3/c24-20(13-17-14-27-21(23-17)19-7-3-11-26-19)22-16-5-1-4-15(12-16)8-9-18-6-2-10-25-18/h1-7,10-12,14H,13H2,(H,22,24)
InChIKeyCVRIKVSEANENHV-UHFFFAOYSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-sulfamoylphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 34751638
N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 26659353
N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505380
N-dibenzofuran-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18226286
methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 38237310
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081
N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 36678786
N-(1,3,4-thiadiazol-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 29370112
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 56582659
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 18208686) is N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(C#Cc2cccs2)c1.
What is the InChIKey of N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CVRIKVSEANENHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS3/c24-20(13-17-14-27-21(23-17)19-7-3-11-26-19)22-16-5-1-4-15(12-16)8-9-18-6-2-10-25-18/h1-7,10-12,14H,13H2,(H,22,24).
What are the key properties of N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 406.56 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18208686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).