N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide

C12H10F3N3O2S — CID 10267859

IUPACN-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
SMILESCSNc1ncc(C(F)(F)F)cc1NC(=O)c1ccco1
InChIInChI=1S/C12H10F3N3O2S/c1-21-18-10-8(5-7(6-16-10)12(13,14)15)17-11(19)9-3-2-4-20-9/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyVZNAXOXAFPIZQX-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.64
Rot. Bonds4

About N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide

N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide (PubChem CID 10267859) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
PubChem CID10267859
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
SMILESCSNc1ncc(C(F)(F)F)cc1NC(=O)c1ccco1
InChIInChI=1S/C12H10F3N3O2S/c1-21-18-10-8(5-7(6-16-10)12(13,14)15)17-11(19)9-3-2-4-20-9/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyVZNAXOXAFPIZQX-UHFFFAOYSA-N
XLogP3.64
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
CID 2526970
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
N-[2-(2-benzylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 132814466
N-[(2S)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 32642442
furan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105099277
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 4179994
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide (CID 10267859) is N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide is CSNc1ncc(C(F)(F)F)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is VZNAXOXAFPIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-21-18-10-8(5-7(6-16-10)12(13,14)15)17-11(19)9-3-2-4-20-9/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide?
N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 10267859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).