5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide

C18H21N5O3S — CID 165412708

IUPAC5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCOc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1
InChIInChI=1S/C18H21N5O3S/c1-25-13-4-2-12(3-5-13)16-14(10-22-6-8-26-9-7-22)20-18-23(16)15(11-27-18)17(24)21-19/h2-5,11H,6-10,19H2,1H3,(H,21,24)
InChIKeyADWBIWIWVFJDMV-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.51
Rot. Bonds5

About 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide

5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide (PubChem CID 165412708) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
PubChem CID165412708
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCOc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1
InChIInChI=1S/C18H21N5O3S/c1-25-13-4-2-12(3-5-13)16-14(10-22-6-8-26-9-7-22)20-18-23(16)15(11-27-18)17(24)21-19/h2-5,11H,6-10,19H2,1H3,(H,21,24)
InChIKeyADWBIWIWVFJDMV-UHFFFAOYSA-N
XLogP1.51
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The IUPAC name of 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide (CID 165412708) is 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The canonical SMILES for 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide is COc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The InChIKey is ADWBIWIWVFJDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-25-13-4-2-12(3-5-13)16-14(10-22-6-8-26-9-7-22)20-18-23(16)15(11-27-18)17(24)21-19/h2-5,11H,6-10,19H2,1H3,(H,21,24).
What are the key properties of 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide has a molecular weight of 387.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide is sourced from PubChem (CID 165412708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).