N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide

C15H16N4OS2 — CID 7711096

IUPACN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1cccs1)c1nnc2ccccn12
InChIInChI=1S/C15H16N4OS2/c1-21-10-7-11(16-15(20)12-5-4-9-22-12)14-18-17-13-6-2-3-8-19(13)14/h2-6,8-9,11H,7,10H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeySJXQDWDBEWZKRA-NSHDSACASA-N
MW332.45 g/mol
LogP3.02
Rot. Bonds6

About N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide (PubChem CID 7711096) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
PubChem CID7711096
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1cccs1)c1nnc2ccccn12
InChIInChI=1S/C15H16N4OS2/c1-21-10-7-11(16-15(20)12-5-4-9-22-12)14-18-17-13-6-2-3-8-19(13)14/h2-6,8-9,11H,7,10H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeySJXQDWDBEWZKRA-NSHDSACASA-N
XLogP3.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide with MolForge

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Related Compounds

US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337
2-[[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2622550
N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]cyclopentanecarboxamide
CID 17582153
(8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620157
US10100058, Example 1
CID 134539527
US10100058, Example 36
CID 134539804
3-chloro-N-(2-thienylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256185
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide (CID 7711096) is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide is CSCC[C@H](NC(=O)c1cccs1)c1nnc2ccccn12.
What is the InChIKey of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
The InChIKey is SJXQDWDBEWZKRA-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-21-10-7-11(16-15(20)12-5-4-9-22-12)14-18-17-13-6-2-3-8-19(13)14/h2-6,8-9,11H,7,10H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide?
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 7711096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).