3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one

C23H19N3O4S — CID 135457725

IUPAC3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one
SMILESC=CCc1cccc(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1O
InChIInChI=1S/C23H19N3O4S/c1-3-5-14-6-4-7-15(21(14)27)12-24-26-23-25-19(13-31-23)18-11-16-10-17(29-2)8-9-20(16)30-22(18)28/h3-4,6-13,27H,1,5H2,2H3,(H,25,26)/b24-12+
InChIKeyUWZPTSYRUFPUMS-WYMPLXKRSA-N
MW433.49 g/mol
LogP4.81
Rot. Bonds7

About 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one

3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one (PubChem CID 135457725) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one.

Molecular Properties

Compound Name3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one
PubChem CID135457725
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one
SMILESC=CCc1cccc(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1O
InChIInChI=1S/C23H19N3O4S/c1-3-5-14-6-4-7-15(21(14)27)12-24-26-23-25-19(13-31-23)18-11-16-10-17(29-2)8-9-20(16)30-22(18)28/h3-4,6-13,27H,1,5H2,2H3,(H,25,26)/b24-12+
InChIKeyUWZPTSYRUFPUMS-WYMPLXKRSA-N
XLogP4.81
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 135420006
3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 135541769
2-[(Z)-[(4-methoxyphenyl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136919154
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-6-methoxychromen-2-one
CID 1038778
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-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3792994
6-methoxy-3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1253888
2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135822187
6-bromo-3-[2-[(2E)-2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 139225890
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
6-chloro-3-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 15853770
6-bromo-3-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3123909

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
The IUPAC name of 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one (CID 135457725) is 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one.
What is the SMILES notation for 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
The canonical SMILES for 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one is C=CCc1cccc(/C=N/Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1O.
What is the InChIKey of 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
The InChIKey is UWZPTSYRUFPUMS-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-3-5-14-6-4-7-15(21(14)27)12-24-26-23-25-19(13-31-23)18-11-16-10-17(29-2)8-9-20(16)30-22(18)28/h3-4,6-13,27H,1,5H2,2H3,(H,25,26)/b24-12+.
What are the key properties of 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one?
3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one has a molecular weight of 433.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one is sourced from PubChem (CID 135457725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).