1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone

C18H15NOS2 — CID 1477678

IUPAC1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1ccccc1
InChIInChI=1S/C18H15NOS2/c1-13-17(16(20)12-21-15-10-6-3-7-11-15)22-18(19-13)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyPXYASROIBLNMFW-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.09
Rot. Bonds5

About 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone

1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone (PubChem CID 1477678) has the molecular formula C18H15NOS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone
PubChem CID1477678
Molecular FormulaC18H15NOS2
Molecular Weight325.46 g/mol
Exact Mass325.06
IUPAC Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)CSc1ccccc1
InChIInChI=1S/C18H15NOS2/c1-13-17(16(20)12-21-15-10-6-3-7-11-15)22-18(19-13)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyPXYASROIBLNMFW-UHFFFAOYSA-N
XLogP5.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone (CID 1477678) is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone is Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone?
The InChIKey is PXYASROIBLNMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS2/c1-13-17(16(20)12-21-15-10-6-3-7-11-15)22-18(19-13)14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone?
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone has a molecular weight of 325.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 1477678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).