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

C15H16N4O2S — CID 7710507

IUPACN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccco1)c1nnc2ccccn12
InChIInChI=1S/C15H16N4O2S/c1-22-10-7-11(16-15(20)12-5-4-9-21-12)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
InChIKeyLYTGRNZUMIFSHC-NSHDSACASA-N
MW316.39 g/mol
LogP2.55
Rot. Bonds6

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

N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide (PubChem CID 7710507) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
PubChem CID7710507
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
SMILESCSCC[C@H](NC(=O)c1ccco1)c1nnc2ccccn12
InChIInChI=1S/C15H16N4O2S/c1-22-10-7-11(16-15(20)12-5-4-9-21-12)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
InChIKeyLYTGRNZUMIFSHC-NSHDSACASA-N
XLogP2.55
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.55
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]furan-2-carboxamide with MolForge

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Related Compounds

8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid butylamide
CID 11652346
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-N-(furan-2-ylmethyl)acetamide
CID 686615
2-{[4-(Furan-2-ylmethyl)-5-(pyridin-4-YL)-1,2,4-triazol-3-YL]sulfanyl}-N,N-dimethylacetamide
CID 1154984
2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651858
2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 662658
N-(2-ethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 662804
N-(furan-2-ylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1081414
N-(furan-2-ylmethyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1291211
N-[[5-[2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]furan-2-yl]methyl]acetamide
CID 2566868
N-(furan-2-ylmethyl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 5310192
N-(furan-2-ylmethyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310234
N-(imidazo[1,2-a]pyridin-2-ylmethyl)furan-2-carboxamide
CID 6623870

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]furan-2-carboxamide?
The IUPAC name of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide (CID 7710507) is N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide is CSCC[C@H](NC(=O)c1ccco1)c1nnc2ccccn12.
What is the InChIKey of N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide?
The InChIKey is LYTGRNZUMIFSHC-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-22-10-7-11(16-15(20)12-5-4-9-21-12)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]furan-2-carboxamide?
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.55, 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]furan-2-carboxamide is sourced from PubChem (CID 7710507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).