2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one

C16H16N2OS — CID 5080547

IUPAC2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=CNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H16N2OS/c19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18)
InChIKeyGHOLYOHZNKOIJD-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.25
Rot. Bonds3

About 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one

2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one (PubChem CID 5080547) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one
PubChem CID5080547
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one
SMILESO=C1CCCCC1=CNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H16N2OS/c19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18)
InChIKeyGHOLYOHZNKOIJD-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(4-bromo-6-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 6826302
bis((6Z)-4-bromo-6-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one);zinc
CID 5476711
bis(2,4-dibromo-6-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one);zinc
CID 6798239
bis(2,4-dibromo-6-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 6787817
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
2-[(4-phenyl-1,3-thiazol-2-yl)amino]isoindole-1,3-dione
CID 1497763
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823
5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 30850449

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one?
The IUPAC name of 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one (CID 5080547) is 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one is O=C1CCCCC1=CNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one?
The InChIKey is GHOLYOHZNKOIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-15-9-5-4-8-13(15)10-17-16-18-14(11-20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,17,18).
What are the key properties of 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one?
2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one has a molecular weight of 284.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one is sourced from PubChem (CID 5080547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).