4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide

C13H20N4O2S — CID 82437904

IUPAC4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1sc(CCN2CCOCC2)nc1C1CC1
InChIInChI=1S/C13H20N4O2S/c14-16-13(18)12-11(9-1-2-9)15-10(20-12)3-4-17-5-7-19-8-6-17/h9H,1-8,14H2,(H,16,18)
InChIKeyHSJKDKTYMJUPII-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.50
Rot. Bonds5

About 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide

4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82437904) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide
PubChem CID82437904
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide
SMILESNNC(=O)c1sc(CCN2CCOCC2)nc1C1CC1
InChIInChI=1S/C13H20N4O2S/c14-16-13(18)12-11(9-1-2-9)15-10(20-12)3-4-17-5-7-19-8-6-17/h9H,1-8,14H2,(H,16,18)
InChIKeyHSJKDKTYMJUPII-UHFFFAOYSA-N
XLogP0.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.50
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide (CID 82437904) is 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide is NNC(=O)c1sc(CCN2CCOCC2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is HSJKDKTYMJUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c14-16-13(18)12-11(9-1-2-9)15-10(20-12)3-4-17-5-7-19-8-6-17/h9H,1-8,14H2,(H,16,18).
What are the key properties of 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide?
4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 296.40 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82437904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).