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

C17H13NO2S — CID 25258380

IUPAC(4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H13NO2S/c1-20-14-9-7-12(8-10-14)16(19)15-11-21-17(18-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyDHZKSBOGJXOCDM-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.05
Rot. Bonds4

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

(4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25258380) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25258380
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name(4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H13NO2S/c1-20-14-9-7-12(8-10-14)16(19)15-11-21-17(18-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyDHZKSBOGJXOCDM-UHFFFAOYSA-N
XLogP4.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 25258380) is (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone is COc1ccc(C(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is DHZKSBOGJXOCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-20-14-9-7-12(8-10-14)16(19)15-11-21-17(18-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
(4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 295.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25258380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).