4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide

C14H19FN4OS — CID 71910246

IUPAC4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide
SMILESCC(C)(C)SCCCC(=O)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C14H19FN4OS/c1-14(2,3)21-8-4-5-12(20)17-13-16-11-7-6-10(15)9-19(11)18-13/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,20)
InChIKeyKTLCMABGPFJHLT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.12
Rot. Bonds5

About 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide

4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide (PubChem CID 71910246) has the molecular formula C14H19FN4OS and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide
PubChem CID71910246
Molecular FormulaC14H19FN4OS
Molecular Weight310.40 g/mol
Exact Mass310.13
IUPAC Name4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide
SMILESCC(C)(C)SCCCC(=O)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C14H19FN4OS/c1-14(2,3)21-8-4-5-12(20)17-13-16-11-7-6-10(15)9-19(11)18-13/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,20)
InChIKeyKTLCMABGPFJHLT-UHFFFAOYSA-N
XLogP3.12
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide?
The IUPAC name of 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide (CID 71910246) is 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide.
What is the SMILES notation for 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide?
The canonical SMILES for 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide is CC(C)(C)SCCCC(=O)Nc1nc2ccc(F)cn2n1.
What is the InChIKey of 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide?
The InChIKey is KTLCMABGPFJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4OS/c1-14(2,3)21-8-4-5-12(20)17-13-16-11-7-6-10(15)9-19(11)18-13/h6-7,9H,4-5,8H2,1-3H3,(H,17,18,20).
What are the key properties of 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide?
4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide has a molecular weight of 310.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butanamide is sourced from PubChem (CID 71910246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).