ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

C13H21F3N4O3S — CID 142553274

IUPACethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESCC.CC.NNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C9H9F3N4O3S.2C2H6/c10-9(11,12)8-14-5(6(18)15-13)7(20-8)16-1-2-19-3-4(16)17;2*1-2/h1-3,13H2,(H,15,18);2*1-2H3
InChIKeyFYADZBMYWAQHQD-UHFFFAOYSA-N
MW370.40 g/mol
LogP2.18
Rot. Bonds2

About ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 142553274) has the molecular formula C13H21F3N4O3S and a molecular weight of 370.40 g/mol. Its IUPAC name is ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Nameethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID142553274
Molecular FormulaC13H21F3N4O3S
Molecular Weight370.40 g/mol
Exact Mass370.13
IUPAC Nameethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESCC.CC.NNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C9H9F3N4O3S.2C2H6/c10-9(11,12)8-14-5(6(18)15-13)7(20-8)16-1-2-19-3-4(16)17;2*1-2/h1-3,13H2,(H,15,18);2*1-2H3
InChIKeyFYADZBMYWAQHQD-UHFFFAOYSA-N
XLogP2.18
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.18
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

1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
4-[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholine
CID 135210351
4-[4-[5-[[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 134461561
ethyl 5-[(2S)-2-prop-2-enylmorpholin-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 134461660
4-methyl-3-(3-oxomorpholin-4-yl)benzoic acid
CID 82513246
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
[2-(3-oxomorpholin-4-yl)phenyl]methyl acetate
CID 174792483
5-chloro-N-[(2S)-2-(dimethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
CID 91141516
ethane;4-phosphanylmorpholin-3-one
CID 143048322
4-(6-amino-2-ethyl-3-pyridinyl)morpholin-3-one
CID 53417899
5-chloro-N-[(2S)-2-[cyclobutyl(methyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
CID 140517755
N-[(2S)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 91127323

Frequently Asked Questions

What is the IUPAC name of ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (CID 142553274) is ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is CC.CC.NNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O.
What is the InChIKey of ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is FYADZBMYWAQHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3S.2C2H6/c10-9(11,12)8-14-5(6(18)15-13)7(20-8)16-1-2-19-3-4(16)17;2*1-2/h1-3,13H2,(H,15,18);2*1-2H3.
What are the key properties of ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 370.40 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 142553274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).