N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide

C11H14F3N3O2S — CID 119812991

IUPACN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)C1COCCN1
InChIInChI=1S/C11H14F3N3O2S/c1-17(10(18)7-5-19-3-2-15-7)4-9-16-8(6-20-9)11(12,13)14/h6-7,15H,2-5H2,1H3
InChIKeyOZKKVHISKREHMA-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.11
Rot. Bonds3

About N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide

N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 119812991) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide
PubChem CID119812991
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)C1COCCN1
InChIInChI=1S/C11H14F3N3O2S/c1-17(10(18)7-5-19-3-2-15-7)4-9-16-8(6-20-9)11(12,13)14/h6-7,15H,2-5H2,1H3
InChIKeyOZKKVHISKREHMA-UHFFFAOYSA-N
XLogP1.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119340397
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
CID 71983792
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 119813025
5-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685824
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide (CID 119812991) is N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1COCCN1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is OZKKVHISKREHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-17(10(18)7-5-19-3-2-15-7)4-9-16-8(6-20-9)11(12,13)14/h6-7,15H,2-5H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide?
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119812991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).