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

C19H19N3O5S2 — CID 46651422

IUPAC3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5S2/c1-25-14-6-12(7-15(26-2)17(14)27-3)18(24)22-21-16(23)8-13-10-29-19(20-13)11-4-5-28-9-11/h4-7,9-10H,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUUFXDWYZRHNKDH-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.90
Rot. Bonds7

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

3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide (PubChem CID 46651422) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
PubChem CID46651422
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5S2/c1-25-14-6-12(7-15(26-2)17(14)27-3)18(24)22-21-16(23)8-13-10-29-19(20-13)11-4-5-28-9-11/h4-7,9-10H,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyUUFXDWYZRHNKDH-UHFFFAOYSA-N
XLogP2.90
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propan-2-yloxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46656596
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N'-[2-(4-methoxyanilino)acetyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetohydrazide
CID 18283839
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
4-(tetrazol-1-yl)-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46636660
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521
N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26643826
methyl 3-methyl-4-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 36934193
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217663

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide (CID 46651422) is 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide is COc1cc(C(=O)NNC(=O)Cc2csc(-c3ccsc3)n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
The InChIKey is UUFXDWYZRHNKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-25-14-6-12(7-15(26-2)17(14)27-3)18(24)22-21-16(23)8-13-10-29-19(20-13)11-4-5-28-9-11/h4-7,9-10H,8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide?
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide has a molecular weight of 433.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide is sourced from PubChem (CID 46651422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).