N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide

C11H12F3N3OS — CID 114908477

IUPACN-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCN(CC(N)=S)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3N3OS/c1-2-17(6-9(15)19)10(18)8-4-3-7(5-16-8)11(12,13)14/h3-5H,2,6H2,1H3,(H2,15,19)
InChIKeyYXBCQXIJKYFZGK-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.85
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114908477) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114908477
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCN(CC(N)=S)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H12F3N3OS/c1-2-17(6-9(15)19)10(18)8-4-3-7(5-16-8)11(12,13)14/h3-5H,2,6H2,1H3,(H2,15,19)
InChIKeyYXBCQXIJKYFZGK-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-propyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908478
N-(2-amino-2-sulfanylideneethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908476
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556
N-(4-aminophenyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908272
N-(4-amino-4-sulfanylidenebutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908481
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908469
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107483074
N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909425
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908464
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114908477) is N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide is CCN(CC(N)=S)C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YXBCQXIJKYFZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-2-17(6-9(15)19)10(18)8-4-3-7(5-16-8)11(12,13)14/h3-5H,2,6H2,1H3,(H2,15,19).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114908477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).