N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C15H14N4OS — CID 30589060

IUPACN-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(/C=C(\C#N)c2ccccn2)cs1
InChIInChI=1S/C15H14N4OS/c1-3-19(11(2)20)15-18-13(10-21-15)8-12(9-16)14-6-4-5-7-17-14/h4-8,10H,3H2,1-2H3/b12-8+
InChIKeyYXHGMTOMCJRGQA-XYOKQWHBSA-N
MW298.37 g/mol
LogP2.98
Rot. Bonds4

About N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 30589060) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID30589060
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(/C=C(\C#N)c2ccccn2)cs1
InChIInChI=1S/C15H14N4OS/c1-3-19(11(2)20)15-18-13(10-21-15)8-12(9-16)14-6-4-5-7-17-14/h4-8,10H,3H2,1-2H3/b12-8+
InChIKeyYXHGMTOMCJRGQA-XYOKQWHBSA-N
XLogP2.98
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
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-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 30589060) is N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(/C=C(\C#N)c2ccccn2)cs1.
What is the InChIKey of N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is YXHGMTOMCJRGQA-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-3-19(11(2)20)15-18-13(10-21-15)8-12(9-16)14-6-4-5-7-17-14/h4-8,10H,3H2,1-2H3/b12-8+.
What are the key properties of N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 30589060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).