4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

C9H9N3O2S — CID 62902584

IUPAC4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnoc2)cc1N
InChIInChI=1S/C9H9N3O2S/c1-5-7(10)2-8(15-5)9(13)12-6-3-11-14-4-6/h2-4H,10H2,1H3,(H,12,13)
InChIKeyNQLWZXIBXRQFAN-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.88
Rot. Bonds2

About 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide

4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (PubChem CID 62902584) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
PubChem CID62902584
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnoc2)cc1N
InChIInChI=1S/C9H9N3O2S/c1-5-7(10)2-8(15-5)9(13)12-6-3-11-14-4-6/h2-4H,10H2,1H3,(H,12,13)
InChIKeyNQLWZXIBXRQFAN-UHFFFAOYSA-N
XLogP1.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide (CID 62902584) is 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cnoc2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
The InChIKey is NQLWZXIBXRQFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-7(10)2-8(15-5)9(13)12-6-3-11-14-4-6/h2-4H,10H2,1H3,(H,12,13).
What are the key properties of 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1,2-oxazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 62902584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).