3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide

C17H22N4O4S — CID 55838977

IUPAC3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN(C)Cc2cnc(C)s2)cc1OC
InChIInChI=1S/C17H22N4O4S/c1-11-18-8-13(26-11)9-21(2)10-16(22)19-20-17(23)12-5-6-14(24-3)15(7-12)25-4/h5-8H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeySYXKXFVTRPCDQD-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.36
Rot. Bonds7

About 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide

3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide (PubChem CID 55838977) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide
PubChem CID55838977
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN(C)Cc2cnc(C)s2)cc1OC
InChIInChI=1S/C17H22N4O4S/c1-11-18-8-13(26-11)9-21(2)10-16(22)19-20-17(23)12-5-6-14(24-3)15(7-12)25-4/h5-8H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeySYXKXFVTRPCDQD-UHFFFAOYSA-N
XLogP1.36
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 55838850
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674
N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide (CID 55838977) is 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CN(C)Cc2cnc(C)s2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide?
The InChIKey is SYXKXFVTRPCDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-11-18-8-13(26-11)9-21(2)10-16(22)19-20-17(23)12-5-6-14(24-3)15(7-12)25-4/h5-8H,9-10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide?
3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide has a molecular weight of 378.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide is sourced from PubChem (CID 55838977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).