3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one

C26H28N2O5S — CID 6256819

IUPAC3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one
SMILESCCCCCCc1cc2cc(-c3csc(Nc4cc(OC)ccc4OC)n3)c(=O)oc2cc1O
InChIInChI=1S/C26H28N2O5S/c1-4-5-6-7-8-16-11-17-12-19(25(30)33-24(17)14-22(16)29)21-15-34-26(28-21)27-20-13-18(31-2)9-10-23(20)32-3/h9-15,29H,4-8H2,1-3H3,(H,27,28)
InChIKeyRDTLWZNZAJIUTB-UHFFFAOYSA-N
MW480.59 g/mol
LogP6.51
Rot. Bonds10

About 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one

3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one (PubChem CID 6256819) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one
PubChem CID6256819
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one
SMILESCCCCCCc1cc2cc(-c3csc(Nc4cc(OC)ccc4OC)n3)c(=O)oc2cc1O
InChIInChI=1S/C26H28N2O5S/c1-4-5-6-7-8-16-11-17-12-19(25(30)33-24(17)14-22(16)29)21-15-34-26(28-21)27-20-13-18(31-2)9-10-23(20)32-3/h9-15,29H,4-8H2,1-3H3,(H,27,28)
InChIKeyRDTLWZNZAJIUTB-UHFFFAOYSA-N
XLogP6.51
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1253888
N-(4-ethylphenyl)-N'-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanediamide
CID 22588305
N-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
CID 22588306
N-(2,5-dimethoxyphenyl)-4-(2,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 23973673
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
6-hexyl-7-hydroxy-3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 135449555
3-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one
CID 135491552
6-hexyl-7-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)chromen-2-one
CID 135530232
6-hexyl-7-hydroxy-3-(3-phenyl-1H-1,2,4-triazol-5-yl)chromen-2-one
CID 135492075
6-methoxy-3-[2-[(2E)-2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 172653636
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1159991
3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 135457725

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one?
The IUPAC name of 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one (CID 6256819) is 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one.
What is the SMILES notation for 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one?
The canonical SMILES for 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one is CCCCCCc1cc2cc(-c3csc(Nc4cc(OC)ccc4OC)n3)c(=O)oc2cc1O.
What is the InChIKey of 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one?
The InChIKey is RDTLWZNZAJIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-4-5-6-7-8-16-11-17-12-19(25(30)33-24(17)14-22(16)29)21-15-34-26(28-21)27-20-13-18(31-2)9-10-23(20)32-3/h9-15,29H,4-8H2,1-3H3,(H,27,28).
What are the key properties of 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one?
3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one has a molecular weight of 480.59 g/mol, XLogP of 6.51, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-6-hexyl-7-hydroxychromen-2-one is sourced from PubChem (CID 6256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).