(1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one

C18H15NOS — CID 867848

IUPAC(1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1/SC=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C18H15NOS/c1-14(20)12-18-19(16-10-6-3-7-11-16)17(13-21-18)15-8-4-2-5-9-15/h2-13H,1H3/b18-12+
InChIKeyRMSPCJAJCDESRN-LDADJPATSA-N
MW293.39 g/mol
LogP4.67
Rot. Bonds3

About (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one

(1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one (PubChem CID 867848) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one
PubChem CID867848
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name(1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one
SMILESCC(=O)/C=C1/SC=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C18H15NOS/c1-14(20)12-18-19(16-10-6-3-7-11-16)17(13-21-18)15-8-4-2-5-9-15/h2-13H,1H3/b18-12+
InChIKeyRMSPCJAJCDESRN-LDADJPATSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one?
The IUPAC name of (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one (CID 867848) is (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one.
What is the SMILES notation for (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one?
The canonical SMILES for (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one is CC(=O)/C=C1/SC=C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one?
The InChIKey is RMSPCJAJCDESRN-LDADJPATSA-N. The full InChI is InChI=1S/C18H15NOS/c1-14(20)12-18-19(16-10-6-3-7-11-16)17(13-21-18)15-8-4-2-5-9-15/h2-13H,1H3/b18-12+.
What are the key properties of (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one?
(1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one has a molecular weight of 293.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3,4-diphenyl-1,3-thiazol-2-ylidene)propan-2-one is sourced from PubChem (CID 867848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).