3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one

C21H17NO4S — CID 75398733

IUPAC3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCc4csc(C)n4)ccc3c2=O)cc1
InChIInChI=1S/C21H17NO4S/c1-13-22-15(12-27-13)10-25-17-7-8-18-20(9-17)26-11-19(21(18)23)14-3-5-16(24-2)6-4-14/h3-9,11-12H,10H2,1-2H3
InChIKeyDVKSGFRMUDTPCS-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.81
Rot. Bonds5

About 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one

3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one (PubChem CID 75398733) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one
PubChem CID75398733
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCc4csc(C)n4)ccc3c2=O)cc1
InChIInChI=1S/C21H17NO4S/c1-13-22-15(12-27-13)10-25-17-7-8-18-20(9-17)26-11-19(21(18)23)14-3-5-16(24-2)6-4-14/h3-9,11-12H,10H2,1-2H3
InChIKeyDVKSGFRMUDTPCS-UHFFFAOYSA-N
XLogP4.81
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one (CID 75398733) is 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one is COc1ccc(-c2coc3cc(OCc4csc(C)n4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one?
The InChIKey is DVKSGFRMUDTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-13-22-15(12-27-13)10-25-17-7-8-18-20(9-17)26-11-19(21(18)23)14-3-5-16(24-2)6-4-14/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one?
3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one has a molecular weight of 379.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one is sourced from PubChem (CID 75398733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).