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

C15H18N2OS — CID 2085414

IUPAC1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=c2\scc(C)n2C(C)C)cc1
InChIInChI=1S/C15H18N2OS/c1-10(2)17-11(3)9-19-15(17)16-14-7-5-13(6-8-14)12(4)18/h5-10H,1-4H3/b16-15-
InChIKeyMFVRTVRJXLTWFP-NXVVXOECSA-N
MW274.39 g/mol
LogP3.87
Rot. Bonds3

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

1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone (PubChem CID 2085414) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
PubChem CID2085414
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=c2\scc(C)n2C(C)C)cc1
InChIInChI=1S/C15H18N2OS/c1-10(2)17-11(3)9-19-15(17)16-14-7-5-13(6-8-14)12(4)18/h5-10H,1-4H3/b16-15-
InChIKeyMFVRTVRJXLTWFP-NXVVXOECSA-N
XLogP3.87
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone (CID 2085414) is 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone is CC(=O)c1ccc(/N=c2\scc(C)n2C(C)C)cc1.
What is the InChIKey of 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
The InChIKey is MFVRTVRJXLTWFP-NXVVXOECSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(2)17-11(3)9-19-15(17)16-14-7-5-13(6-8-14)12(4)18/h5-10H,1-4H3/b16-15-.
What are the key properties of 1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone?
1-[4-[(4-methyl-3-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone has a molecular weight of 274.39 g/mol, XLogP of 3.87, 3 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-propan-2-yl-1,3-thiazol-2-ylidene)amino]phenyl]ethanone is sourced from PubChem (CID 2085414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).