N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide

C14H16F3N3O2S — CID 851473

IUPACN-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C14H16F3N3O2S/c1-9(21)18-13(23)19-11-8-10(14(15,16)17)2-3-12(11)20-4-6-22-7-5-20/h2-3,8H,4-7H2,1H3,(H2,18,19,21,23)
InChIKeyJKHOCYAHVRRUEY-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.37
Rot. Bonds2

About N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide

N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide (PubChem CID 851473) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
PubChem CID851473
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC NameN-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C14H16F3N3O2S/c1-9(21)18-13(23)19-11-8-10(14(15,16)17)2-3-12(11)20-4-6-22-7-5-20/h2-3,8H,4-7H2,1H3,(H2,18,19,21,23)
InChIKeyJKHOCYAHVRRUEY-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide;hydrochloride
CID 2940868
2-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 979258
2-chloro-4-methyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 5088986
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide
CID 5089451
1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea
CID 86802255
1-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]thiourea
CID 4616601
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
4-methyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide
CID 5089449
3-[methyl-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 122073939
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
2-(2-chlorophenoxy)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 5089221

Frequently Asked Questions

What is the IUPAC name of N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide?
The IUPAC name of N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide (CID 851473) is N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide.
What is the SMILES notation for N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide?
The canonical SMILES for N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide is CC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide?
The InChIKey is JKHOCYAHVRRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-9(21)18-13(23)19-11-8-10(14(15,16)17)2-3-12(11)20-4-6-22-7-5-20/h2-3,8H,4-7H2,1H3,(H2,18,19,21,23).
What are the key properties of N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide?
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide has a molecular weight of 347.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide is sourced from PubChem (CID 851473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).