1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone

C15H16N2OS — CID 2140685

IUPAC1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
SMILESC=CCn1c(C)cs/c1=N\c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H16N2OS/c1-4-9-17-11(2)10-19-15(17)16-14-7-5-13(6-8-14)12(3)18/h4-8,10H,1,9H2,2-3H3/b16-15-
InChIKeyWNWSSDJVOBAXCC-NXVVXOECSA-N
MW272.37 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone

1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone (PubChem CID 2140685) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
PubChem CID2140685
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
SMILESC=CCn1c(C)cs/c1=N\c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H16N2OS/c1-4-9-17-11(2)10-19-15(17)16-14-7-5-13(6-8-14)12(3)18/h4-8,10H,1,9H2,2-3H3/b16-15-
InChIKeyWNWSSDJVOBAXCC-NXVVXOECSA-N
XLogP3.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone (CID 2140685) is 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone is C=CCn1c(C)cs/c1=N\c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
The InChIKey is WNWSSDJVOBAXCC-NXVVXOECSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-4-9-17-11(2)10-19-15(17)16-14-7-5-13(6-8-14)12(3)18/h4-8,10H,1,9H2,2-3H3/b16-15-.
What are the key properties of 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone has a molecular weight of 272.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone is sourced from PubChem (CID 2140685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).