3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide

C9H10FN3OS — CID 107595138

IUPAC3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
SMILESCC(C(=O)Nc1ccncc1F)C(N)=S
InChIInChI=1S/C9H10FN3OS/c1-5(8(11)15)9(14)13-7-2-3-12-4-6(7)10/h2-5H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyIVTPVRXHZONAKK-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.08
Rot. Bonds3

About 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide

3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide (PubChem CID 107595138) has the molecular formula C9H10FN3OS and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
PubChem CID107595138
Molecular FormulaC9H10FN3OS
Molecular Weight227.26 g/mol
Exact Mass227.05
IUPAC Name3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
SMILESCC(C(=O)Nc1ccncc1F)C(N)=S
InChIInChI=1S/C9H10FN3OS/c1-5(8(11)15)9(14)13-7-2-3-12-4-6(7)10/h2-5H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyIVTPVRXHZONAKK-UHFFFAOYSA-N
XLogP1.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
CID 107595018
(2R)-2-(3-fluorophenyl)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124569903
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
CID 107594933
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
CID 107594821
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107594967
3-amino-2-methyl-3-sulfanylidene-N-(3,4,5-trifluorophenyl)propanamide
CID 55119171
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide (CID 107595138) is 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide is CC(C(=O)Nc1ccncc1F)C(N)=S.
What is the InChIKey of 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide?
The InChIKey is IVTPVRXHZONAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3OS/c1-5(8(11)15)9(14)13-7-2-3-12-4-6(7)10/h2-5H,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide?
3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide has a molecular weight of 227.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 107595138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).