2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C8H12N4O2S — CID 2113379

IUPAC2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C8H12N4O2S/c9-11-7(13)6-5-15-8(10-6)12-1-3-14-4-2-12/h5H,1-4,9H2,(H,11,13)
InChIKeyPYGOQUVVURRPDE-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.42
Rot. Bonds2

About 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 2113379) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID2113379
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C8H12N4O2S/c9-11-7(13)6-5-15-8(10-6)12-1-3-14-4-2-12/h5H,1-4,9H2,(H,11,13)
InChIKeyPYGOQUVVURRPDE-UHFFFAOYSA-N
XLogP-0.42
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.42
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 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 2113379) is 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is PYGOQUVVURRPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-11-7(13)6-5-15-8(10-6)12-1-3-14-4-2-12/h5H,1-4,9H2,(H,11,13).
What are the key properties of 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 228.28 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2113379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).