5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

C13H10N4O2S — CID 170414131

IUPAC5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cccc(-c3ccon3)c2)sc1N
InChIInChI=1S/C13H10N4O2S/c14-11(18)10-12(15)20-13(16-10)8-3-1-2-7(6-8)9-4-5-19-17-9/h1-6H,15H2,(H2,14,18)
InChIKeyMXBPPWSDIJNGCX-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 170414131) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID170414131
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(-c2cccc(-c3ccon3)c2)sc1N
InChIInChI=1S/C13H10N4O2S/c14-11(18)10-12(15)20-13(16-10)8-3-1-2-7(6-8)9-4-5-19-17-9/h1-6H,15H2,(H2,14,18)
InChIKeyMXBPPWSDIJNGCX-UHFFFAOYSA-N
XLogP2.15
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 170414131) is 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(-c2cccc(-c3ccon3)c2)sc1N.
What is the InChIKey of 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MXBPPWSDIJNGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-11(18)10-12(15)20-13(16-10)8-3-1-2-7(6-8)9-4-5-19-17-9/h1-6H,15H2,(H2,14,18).
What are the key properties of 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 170414131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).