2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide

C20H19N3O5S — CID 27698476

IUPAC2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccccc3O)s2)cc1OC
InChIInChI=1S/C20H19N3O5S/c1-11-17(19(26)23-22-18(25)13-6-4-5-7-14(13)24)29-20(21-11)12-8-9-15(27-2)16(10-12)28-3/h4-10,24H,1-3H3,(H,22,25)(H,23,26)
InChIKeyZHGVHZIPMMHLLE-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.92
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide

2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 27698476) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID27698476
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccccc3O)s2)cc1OC
InChIInChI=1S/C20H19N3O5S/c1-11-17(19(26)23-22-18(25)13-6-4-5-7-14(13)24)29-20(21-11)12-8-9-15(27-2)16(10-12)28-3/h4-10,24H,1-3H3,(H,22,25)(H,23,26)
InChIKeyZHGVHZIPMMHLLE-UHFFFAOYSA-N
XLogP2.92
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55414156
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 75269417
2-(3,4-dimethoxyphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55615027
N-(3-aminobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119498037
3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
2-(3,4-dimethoxyphenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24655097
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide (CID 27698476) is 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide is COc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3ccccc3O)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is ZHGVHZIPMMHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-11-17(19(26)23-22-18(25)13-6-4-5-7-14(13)24)29-20(21-11)12-8-9-15(27-2)16(10-12)28-3/h4-10,24H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide?
2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 413.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 27698476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).