N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide

C21H16N2O5S — CID 3319928

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1OC
InChIInChI=1S/C21H16N2O5S/c1-26-17-8-7-12(9-18(17)27-2)14-11-29-21(22-14)23-20(25)19-10-15(24)13-5-3-4-6-16(13)28-19/h3-11H,1-2H3,(H,22,23,25)
InChIKeyDDSOTSYZWRYKMK-UHFFFAOYSA-N
MW408.44 g/mol
LogP4.19
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 3319928) has the molecular formula C21H16N2O5S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
PubChem CID3319928
Molecular FormulaC21H16N2O5S
Molecular Weight408.44 g/mol
Exact Mass408.08
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1OC
InChIInChI=1S/C21H16N2O5S/c1-26-17-8-7-12(9-18(17)27-2)14-11-29-21(22-14)23-20(25)19-10-15(24)13-5-3-4-6-16(13)28-19/h3-11H,1-2H3,(H,22,23,25)
InChIKeyDDSOTSYZWRYKMK-UHFFFAOYSA-N
XLogP4.19
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide (CID 3319928) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
The InChIKey is DDSOTSYZWRYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5S/c1-26-17-8-7-12(9-18(17)27-2)14-11-29-21(22-14)23-20(25)19-10-15(24)13-5-3-4-6-16(13)28-19/h3-11H,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3319928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).