ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate

C15H13N5O4S — CID 121465028

IUPACethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1
InChIInChI=1S/C15H13N5O4S/c1-2-24-15(23)18-13(22)10-4-6-25-14(10)17-12(21)9-3-5-20-8-16-19-11(20)7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,22,23)
InChIKeyLUOJPVWKDGFANM-UHFFFAOYSA-N
MW359.37 g/mol
LogP1.93
Rot. Bonds4

About ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate

ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121465028) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121465028
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Nameethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1
InChIInChI=1S/C15H13N5O4S/c1-2-24-15(23)18-13(22)10-4-6-25-14(10)17-12(21)9-3-5-20-8-16-19-11(20)7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,22,23)
InChIKeyLUOJPVWKDGFANM-UHFFFAOYSA-N
XLogP1.93
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121465028) is ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccn2cnnc2c1.
What is the InChIKey of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is LUOJPVWKDGFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-2-24-15(23)18-13(22)10-4-6-25-14(10)17-12(21)9-3-5-20-8-16-19-11(20)7-9/h3-8H,2H2,1H3,(H,17,21)(H,18,22,23).
What are the key properties of ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate?
ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 359.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-([1,2,4]triazolo[4,3-a]pyridine-7-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121465028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).