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

C19H18N2O4S — CID 52946865

IUPAC[5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(N)ccc2-c2nccs2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-8-11(9-16(24-2)18(15)25-3)17(22)14-10-12(20)4-5-13(14)19-21-6-7-26-19/h4-10H,20H2,1-3H3
InChIKeyGFVCSBBZUFSRFF-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.65
Rot. Bonds6

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

[5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 52946865) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID52946865
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name[5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(N)ccc2-c2nccs2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4S/c1-23-15-8-11(9-16(24-2)18(15)25-3)17(22)14-10-12(20)4-5-13(14)19-21-6-7-26-19/h4-10H,20H2,1-3H3
InChIKeyGFVCSBBZUFSRFF-UHFFFAOYSA-N
XLogP3.65
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.65
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-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone (CID 52946865) is [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(N)ccc2-c2nccs2)cc(OC)c1OC.
What is the InChIKey of [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GFVCSBBZUFSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-23-15-8-11(9-16(24-2)18(15)25-3)17(22)14-10-12(20)4-5-13(14)19-21-6-7-26-19/h4-10H,20H2,1-3H3.
What are the key properties of [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone?
[5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 370.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 52946865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).