2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide

C11H13F3N4O3S2 — CID 55649625

IUPAC2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(CSC(F)(F)F)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H13F3N4O3S2/c12-11(13,14)23-6-8(19)16-17-9(20)7-5-22-10(15-7)18-1-3-21-4-2-18/h5H,1-4,6H2,(H,16,19)(H,17,20)
InChIKeyDSWMHZDWSUAQGS-UHFFFAOYSA-N
MW370.38 g/mol
LogP0.99
Rot. Bonds4

About 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 55649625) has the molecular formula C11H13F3N4O3S2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide
PubChem CID55649625
Molecular FormulaC11H13F3N4O3S2
Molecular Weight370.38 g/mol
Exact Mass370.04
IUPAC Name2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(CSC(F)(F)F)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H13F3N4O3S2/c12-11(13,14)23-6-8(19)16-17-9(20)7-5-22-10(15-7)18-1-3-21-4-2-18/h5H,1-4,6H2,(H,16,19)(H,17,20)
InChIKeyDSWMHZDWSUAQGS-UHFFFAOYSA-N
XLogP0.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 50.99
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'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide (CID 55649625) is 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide is O=C(CSC(F)(F)F)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is DSWMHZDWSUAQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3S2/c12-11(13,14)23-6-8(19)16-17-9(20)7-5-22-10(15-7)18-1-3-21-4-2-18/h5H,1-4,6H2,(H,16,19)(H,17,20).
What are the key properties of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 370.38 g/mol, XLogP of 0.99, 4 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'-[2-(trifluoromethylsulfanyl)acetyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55649625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).