3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

C8H7N3O2S — CID 62902585

IUPAC3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1cnoc1
InChIInChI=1S/C8H7N3O2S/c9-6-1-2-14-7(6)8(12)11-5-3-10-13-4-5/h1-4H,9H2,(H,11,12)
InChIKeyAQSIKDUQKAOKRI-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.57
Rot. Bonds2

About 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (PubChem CID 62902585) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
PubChem CID62902585
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1cnoc1
InChIInChI=1S/C8H7N3O2S/c9-6-1-2-14-7(6)8(12)11-5-3-10-13-4-5/h1-4H,9H2,(H,11,12)
InChIKeyAQSIKDUQKAOKRI-UHFFFAOYSA-N
XLogP1.57
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (CID 62902585) is 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1cnoc1.
What is the InChIKey of 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The InChIKey is AQSIKDUQKAOKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c9-6-1-2-14-7(6)8(12)11-5-3-10-13-4-5/h1-4H,9H2,(H,11,12).
What are the key properties of 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide has a molecular weight of 209.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 62902585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).