N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide

C19H14N4OS — CID 52747125

IUPACN-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C19H14N4OS/c1-13(24)22-17-4-2-14(3-5-17)10-16(11-20)19-23-18(12-25-19)15-6-8-21-9-7-15/h2-10,12H,1H3,(H,22,24)/b16-10-
InChIKeyODFJDAUAZTWEEO-YBEGLDIGSA-N
MW346.42 g/mol
LogP4.23
Rot. Bonds4

About N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide

N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide (PubChem CID 52747125) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide
PubChem CID52747125
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C19H14N4OS/c1-13(24)22-17-4-2-14(3-5-17)10-16(11-20)19-23-18(12-25-19)15-6-8-21-9-7-15/h2-10,12H,1H3,(H,22,24)/b16-10-
InChIKeyODFJDAUAZTWEEO-YBEGLDIGSA-N
XLogP4.23
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide (CID 52747125) is N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C(/C#N)c2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide?
The InChIKey is ODFJDAUAZTWEEO-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-13(24)22-17-4-2-14(3-5-17)10-16(11-20)19-23-18(12-25-19)15-6-8-21-9-7-15/h2-10,12H,1H3,(H,22,24)/b16-10-.
What are the key properties of N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide?
N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide has a molecular weight of 346.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 52747125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).