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

C18H21N5O2S — CID 165412710

IUPAC5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1
InChIInChI=1S/C18H21N5O2S/c1-12-2-4-13(5-3-12)16-14(10-22-6-8-25-9-7-22)20-18-23(16)15(11-26-18)17(24)21-19/h2-5,11H,6-10,19H2,1H3,(H,21,24)
InChIKeyMSIRVCGEZTUEOG-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.81
Rot. Bonds4

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

5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide (PubChem CID 165412710) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
PubChem CID165412710
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide
SMILESCc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1
InChIInChI=1S/C18H21N5O2S/c1-12-2-4-13(5-3-12)16-14(10-22-6-8-25-9-7-22)20-18-23(16)15(11-26-18)17(24)21-19/h2-5,11H,6-10,19H2,1H3,(H,21,24)
InChIKeyMSIRVCGEZTUEOG-UHFFFAOYSA-N
XLogP1.81
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The IUPAC name of 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide (CID 165412710) is 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide.
What is the SMILES notation for 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The canonical SMILES for 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide is Cc1ccc(-c2c(CN3CCOCC3)nc3scc(C(=O)NN)n23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
The InChIKey is MSIRVCGEZTUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-2-4-13(5-3-12)16-14(10-22-6-8-25-9-7-22)20-18-23(16)15(11-26-18)17(24)21-19/h2-5,11H,6-10,19H2,1H3,(H,21,24).
What are the key properties of 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide?
5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide has a molecular weight of 371.47 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carbohydrazide is sourced from PubChem (CID 165412710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).