5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

C9H11F3N4O2S — CID 137355678

IUPAC5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1
InChIInChI=1S/C9H11F3N4O2S/c10-9(11,12)8-14-5(6(17)15-13)7(19-8)16-1-3-18-4-2-16/h1-4,13H2,(H,15,17)
InChIKeyPSCKZRMKYABDES-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.60
Rot. Bonds2

About 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 137355678) has the molecular formula C9H11F3N4O2S and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID137355678
Molecular FormulaC9H11F3N4O2S
Molecular Weight296.27 g/mol
Exact Mass296.06
IUPAC Name5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1
InChIInChI=1S/C9H11F3N4O2S/c10-9(11,12)8-14-5(6(17)15-13)7(19-8)16-1-3-18-4-2-16/h1-4,13H2,(H,15,17)
InChIKeyPSCKZRMKYABDES-UHFFFAOYSA-N
XLogP0.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.60
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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Related Compounds

5-(3-Oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 126482666
N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 126498081
tert-butyl N-[[5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 134461702
4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine
CID 138515070
Ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
5-[Methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 167159314
N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 172695787
5-[Ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 154040324
5-Amino-2-(methylthio)-N-4-morpholinyl-4-thiazolecarboxamide
CID 124153884
2-(1-Ethoxycyclobutyl)-5-morpholinothiazole-4-carbohydrazide
CID 126482426
5-Morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbohydrazide
CID 126483057
2-Cyclopropyl-5-(4-morpholinyl)-4-thiazolecarboxylic acid hydrazide
CID 137355568

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (CID 137355678) is 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is PSCKZRMKYABDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2S/c10-9(11,12)8-14-5(6(17)15-13)7(19-8)16-1-3-18-4-2-16/h1-4,13H2,(H,15,17).
What are the key properties of 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 296.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 137355678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).