3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide

C8H10N6O2S — CID 114185627

IUPAC3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H10N6O2S/c9-6-5(7(10)15)8(17-14-6)11-2-1-4-12-3-13-16-4/h3,11H,1-2H2,(H2,9,14)(H2,10,15)
InChIKeyCGGAOBGEYLNULA-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.14
Rot. Bonds5

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

3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 114185627) has the molecular formula C8H10N6O2S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID114185627
Molecular FormulaC8H10N6O2S
Molecular Weight254.27 g/mol
Exact Mass254.06
IUPAC Name3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H10N6O2S/c9-6-5(7(10)15)8(17-14-6)11-2-1-4-12-3-13-16-4/h3,11H,1-2H2,(H2,9,14)(H2,10,15)
InChIKeyCGGAOBGEYLNULA-UHFFFAOYSA-N
XLogP-0.14
TPSA132.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide (CID 114185627) is 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide is NC(=O)c1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is CGGAOBGEYLNULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S/c9-6-5(7(10)15)8(17-14-6)11-2-1-4-12-3-13-16-4/h3,11H,1-2H2,(H2,9,14)(H2,10,15).
What are the key properties of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 254.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114185627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).