N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide

C20H16N2OS — CID 166228913

IUPACN-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide
SMILESO=C(CCc1cncs1)Nc1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C20H16N2OS/c23-20(12-11-19-14-21-15-24-19)22-18-8-4-7-17(13-18)10-9-16-5-2-1-3-6-16/h1-8,13-15H,11-12H2,(H,22,23)
InChIKeyJODPHPQGODHKLM-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.11
Rot. Bonds4

About N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide

N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide (PubChem CID 166228913) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide
PubChem CID166228913
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide
SMILESO=C(CCc1cncs1)Nc1cccc(C#Cc2ccccc2)c1
InChIInChI=1S/C20H16N2OS/c23-20(12-11-19-14-21-15-24-19)22-18-8-4-7-17(13-18)10-9-16-5-2-1-3-6-16/h1-8,13-15H,11-12H2,(H,22,23)
InChIKeyJODPHPQGODHKLM-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-phenylethynyl)phenyl]acetamide
CID 90074626
1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
CID 112641235
methyl 3-[2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]ethynyl]benzoate
CID 134048158
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 86917550
4-phenylsulfanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 18272046
4-phenoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide
CID 134053013
N-(3-ethynylphenyl)-2-[[3-(2-phenylethynyl)phenyl]carbamoylamino]acetamide
CID 112838330
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803072
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide (CID 166228913) is N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide is O=C(CCc1cncs1)Nc1cccc(C#Cc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
The InChIKey is JODPHPQGODHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-20(12-11-19-14-21-15-24-19)22-18-8-4-7-17(13-18)10-9-16-5-2-1-3-6-16/h1-8,13-15H,11-12H2,(H,22,23).
What are the key properties of N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide?
N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide has a molecular weight of 332.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethynyl)phenyl]-3-(1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 166228913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).