4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide

C13H15N3O3S — CID 82441216

IUPAC4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCOCc1nc(-c2ccc(OC)cc2)sc1C(=O)NN
InChIInChI=1S/C13H15N3O3S/c1-18-7-10-11(12(17)16-14)20-13(15-10)8-3-5-9(19-2)6-4-8/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyAYBLQIMQRLYWDU-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.57
Rot. Bonds5

About 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide

4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82441216) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
PubChem CID82441216
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
SMILESCOCc1nc(-c2ccc(OC)cc2)sc1C(=O)NN
InChIInChI=1S/C13H15N3O3S/c1-18-7-10-11(12(17)16-14)20-13(15-10)8-3-5-9(19-2)6-4-8/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyAYBLQIMQRLYWDU-UHFFFAOYSA-N
XLogP1.57
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82440233
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432630
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carbohydrazide
CID 82440072
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841
2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide (CID 82441216) is 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide is COCc1nc(-c2ccc(OC)cc2)sc1C(=O)NN.
What is the InChIKey of 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is AYBLQIMQRLYWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-18-7-10-11(12(17)16-14)20-13(15-10)8-3-5-9(19-2)6-4-8/h3-6H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide?
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 293.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82441216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).