N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide

C18H22N4OS2 — CID 51279614

IUPACN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide
SMILESCSCCC(NC(=O)CCCc1cccs1)c1nnc2ccccn12
InChIInChI=1S/C18H22N4OS2/c1-24-13-10-15(18-21-20-16-8-2-3-11-22(16)18)19-17(23)9-4-6-14-7-5-12-25-14/h2-3,5,7-8,11-12,15H,4,6,9-10,13H2,1H3,(H,19,23)
InChIKeyQFWZSDCWZXPUJF-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.72
Rot. Bonds9

About N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide (PubChem CID 51279614) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide
PubChem CID51279614
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC NameN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide
SMILESCSCCC(NC(=O)CCCc1cccs1)c1nnc2ccccn12
InChIInChI=1S/C18H22N4OS2/c1-24-13-10-15(18-21-20-16-8-2-3-11-22(16)18)19-17(23)9-4-6-14-7-5-12-25-14/h2-3,5,7-8,11-12,15H,4,6,9-10,13H2,1H3,(H,19,23)
InChIKeyQFWZSDCWZXPUJF-UHFFFAOYSA-N
XLogP3.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
4-(1-methylindol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 86207201
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 86207183
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55453460
3-(3-chlorophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 51278371
3-methyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]but-2-enamide
CID 55535631
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 71828310
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 124784113
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
2-(1,3-dioxoisoindol-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 42650767

Frequently Asked Questions

What is the IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide (CID 51279614) is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide is CSCCC(NC(=O)CCCc1cccs1)c1nnc2ccccn12.
What is the InChIKey of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide?
The InChIKey is QFWZSDCWZXPUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-24-13-10-15(18-21-20-16-8-2-3-11-22(16)18)19-17(23)9-4-6-14-7-5-12-25-14/h2-3,5,7-8,11-12,15H,4,6,9-10,13H2,1H3,(H,19,23).
What are the key properties of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide?
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide has a molecular weight of 374.54 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 51279614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).