(2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

C17H15NO2S — CID 69039518

IUPAC(2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
SMILESCOc1ccccc1C(=O)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C17H15NO2S/c1-20-15-10-6-5-9-13(15)16(19)14-11-21-17(18-14)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyUILQICHNSAXOEI-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.44
Rot. Bonds4

About (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

(2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone (PubChem CID 69039518) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
PubChem CID69039518
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name(2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
SMILESCOc1ccccc1C(=O)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C17H15NO2S/c1-20-15-10-6-5-9-13(15)16(19)14-11-21-17(18-14)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3
InChIKeyUILQICHNSAXOEI-UHFFFAOYSA-N
XLogP3.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone (CID 69039518) is (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone is COc1ccccc1C(=O)C1CSC(c2ccccc2)=N1.
What is the InChIKey of (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
The InChIKey is UILQICHNSAXOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-20-15-10-6-5-9-13(15)16(19)14-11-21-17(18-14)12-7-3-2-4-8-12/h2-10,14H,11H2,1H3.
What are the key properties of (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone?
(2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone has a molecular weight of 297.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 69039518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).