N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C14H18N4OS — CID 47096035

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H18N4OS/c1-4-17(9-11(2)3)13(19)10-20-14-16-15-12-7-5-6-8-18(12)14/h5-8H,2,4,9-10H2,1,3H3
InChIKeyKBHTXADHPNVNSH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.25
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 47096035) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID47096035
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H18N4OS/c1-4-17(9-11(2)3)13(19)10-20-14-16-15-12-7-5-6-8-18(12)14/h5-8H,2,4,9-10H2,1,3H3
InChIKeyKBHTXADHPNVNSH-UHFFFAOYSA-N
XLogP2.25
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 44774984
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 112821940
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 7184052
N-benzyl-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7889037
2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide
CID 9373409
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095628
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
N-ethyl-N-(2-methylprop-2-enyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47095346
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 38668333
N-ethyl-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylprop-2-enyl)acetamide
CID 78763267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 47096035) is N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is C=C(C)CN(CC)C(=O)CSc1nnc2ccccn12.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is KBHTXADHPNVNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-17(9-11(2)3)13(19)10-20-14-16-15-12-7-5-6-8-18(12)14/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 47096035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).