3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

C12H10N4O2S — CID 106423442

IUPAC3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccno2)sc2ncccc12
InChIInChI=1S/C12H10N4O2S/c13-9-8-2-1-4-14-12(8)19-10(9)11(17)15-6-7-3-5-16-18-7/h1-5H,6,13H2,(H,15,17)
InChIKeyRPYFSAMDEGOGIO-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 106423442) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID106423442
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2ccno2)sc2ncccc12
InChIInChI=1S/C12H10N4O2S/c13-9-8-2-1-4-14-12(8)19-10(9)11(17)15-6-7-3-5-16-18-7/h1-5H,6,13H2,(H,15,17)
InChIKeyRPYFSAMDEGOGIO-UHFFFAOYSA-N
XLogP1.80
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309
3-amino-N-(2-bromoprop-2-enyl)thieno[2,3-b]pyridine-2-carboxamide
CID 113465232
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 115457149
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
3-amino-7-methyl-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112787
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 114469848
3-amino-N-(3-cyclopentylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 106015905
3-amino-N-[(3-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 107415732
4-amino-N-(1,2-oxazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 106413481
3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316323
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 80691393

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 106423442) is 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCc2ccno2)sc2ncccc12.
What is the InChIKey of 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RPYFSAMDEGOGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c13-9-8-2-1-4-14-12(8)19-10(9)11(17)15-6-7-3-5-16-18-7/h1-5H,6,13H2,(H,15,17).
What are the key properties of 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 106423442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).