[5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

C20H20N2O4S — CID 52946867

IUPAC[5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(N)ccc2-c2csc(C)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4S/c1-11-22-16(10-27-11)14-6-5-13(21)9-15(14)19(23)12-7-17(24-2)20(26-4)18(8-12)25-3/h5-10H,21H2,1-4H3
InChIKeyQDKOOFRYYJHYQI-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.96
Rot. Bonds6

About [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone

[5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52946867) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52946867
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(N)ccc2-c2csc(C)n2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4S/c1-11-22-16(10-27-11)14-6-5-13(21)9-15(14)19(23)12-7-17(24-2)20(26-4)18(8-12)25-3/h5-10H,21H2,1-4H3
InChIKeyQDKOOFRYYJHYQI-UHFFFAOYSA-N
XLogP3.96
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 52946867) is [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(N)ccc2-c2csc(C)n2)cc(OC)c1OC.
What is the InChIKey of [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QDKOOFRYYJHYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-11-22-16(10-27-11)14-6-5-13(21)9-15(14)19(23)12-7-17(24-2)20(26-4)18(8-12)25-3/h5-10H,21H2,1-4H3.
What are the key properties of [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 384.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(2-methyl-1,3-thiazol-4-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52946867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).