3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide

C22H19N3O6S — CID 177375367

IUPAC3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
SMILESCOc1cc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC
InChIInChI=1S/C22H19N3O6S/c1-28-17-9-13(10-18(29-2)19(17)30-3)20(26)24-25-22-23-15(11-32-22)14-8-12-6-4-5-7-16(12)31-21(14)27/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyQEEDUMPROBPDTE-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.70
Rot. Bonds7

About 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide

3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide (PubChem CID 177375367) has the molecular formula C22H19N3O6S and a molecular weight of 453.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
PubChem CID177375367
Molecular FormulaC22H19N3O6S
Molecular Weight453.48 g/mol
Exact Mass453.10
IUPAC Name3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide
SMILESCOc1cc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC
InChIInChI=1S/C22H19N3O6S/c1-28-17-9-13(10-18(29-2)19(17)30-3)20(26)24-25-22-23-15(11-32-22)14-8-12-6-4-5-7-16(12)31-21(14)27/h4-11H,1-3H3,(H,23,25)(H,24,26)
InChIKeyQEEDUMPROBPDTE-UHFFFAOYSA-N
XLogP3.70
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-[2-[(2E)-2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 172653636
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 3833015
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
3-[2-(2-benzhydrylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 4006186
3-(4-methoxyphenyl)sulfanyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 41324862
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
[4-[2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-2,6-dimethoxyphenyl] acetate
CID 4638130
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 886838
3-[2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900476

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide (CID 177375367) is 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide is COc1cc(C(=O)NNc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
The InChIKey is QEEDUMPROBPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S/c1-28-17-9-13(10-18(29-2)19(17)30-3)20(26)24-25-22-23-15(11-32-22)14-8-12-6-4-5-7-16(12)31-21(14)27/h4-11H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide?
3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide has a molecular weight of 453.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzohydrazide is sourced from PubChem (CID 177375367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).