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

C19H17NO4S — CID 25227430

IUPAC(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17NO4S/c1-22-15-9-13(10-16(23-2)18(15)24-3)17(21)14-11-25-19(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyWZEMDWPKLKAUOH-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.07
Rot. Bonds6

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

(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25227430) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25227430
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H17NO4S/c1-22-15-9-13(10-16(23-2)18(15)24-3)17(21)14-11-25-19(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyWZEMDWPKLKAUOH-UHFFFAOYSA-N
XLogP4.07
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 25227430) is (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WZEMDWPKLKAUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-22-15-9-13(10-16(23-2)18(15)24-3)17(21)14-11-25-19(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25227430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).