N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C10H10F3N3O3S — CID 126498081

IUPACN-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C10H10F3N3O3S/c1-14-7(18)6-8(16-2-3-19-4-5(16)17)20-9(15-6)10(11,12)13/h2-4H2,1H3,(H,14,18)
InChIKeyFCCWEEKBBKBJFE-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.88
Rot. Bonds2

About N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 126498081) has the molecular formula C10H10F3N3O3S and a molecular weight of 309.27 g/mol. Its IUPAC name is N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID126498081
Molecular FormulaC10H10F3N3O3S
Molecular Weight309.27 g/mol
Exact Mass309.04
IUPAC NameN-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C10H10F3N3O3S/c1-14-7(18)6-8(16-2-3-19-4-5(16)17)20-9(15-6)10(11,12)13/h2-4H2,1H3,(H,14,18)
InChIKeyFCCWEEKBBKBJFE-UHFFFAOYSA-N
XLogP0.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 126482666
2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 126498065
4-[4-Acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 126498080
5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
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-cyclopropyl-5-[(2-methoxyacetyl)amino]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 124152917
5-acetamido-N-(2-methoxyethyl)-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 124154252
5-[(2-methoxyacetyl)amino]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 124154650
5-[(2-methoxyacetyl)amino]-2-methylsulfanyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 124154910
N-methyl-5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 126498067

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 126498081) is N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CNC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O.
What is the InChIKey of N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FCCWEEKBBKBJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3S/c1-14-7(18)6-8(16-2-3-19-4-5(16)17)20-9(15-6)10(11,12)13/h2-4H2,1H3,(H,14,18).
What are the key properties of N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 309.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126498081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).