2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide

C13H14N4O3S2 — CID 18120603

IUPAC2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C13H14N4O3S2/c18-11(15-16-12(19)10-2-1-7-21-10)9-8-22-13(14-9)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,15,18)(H,16,19)
InChIKeyXZIZDWQHJOWCLP-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.12
Rot. Bonds3

About 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 18120603) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID18120603
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C13H14N4O3S2/c18-11(15-16-12(19)10-2-1-7-21-10)9-8-22-13(14-9)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,15,18)(H,16,19)
InChIKeyXZIZDWQHJOWCLP-UHFFFAOYSA-N
XLogP1.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 18120603) is 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1cccs1)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is XZIZDWQHJOWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c18-11(15-16-12(19)10-2-1-7-21-10)9-8-22-13(14-9)17-3-5-20-6-4-17/h1-2,7-8H,3-6H2,(H,15,18)(H,16,19).
What are the key properties of 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 338.41 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 18120603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).