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

C9H12N6O2S — CID 106412751

IUPAC3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C9H12N6O2S/c1-11-8(16)6-7(10)15-18-9(6)12-3-2-5-13-4-14-17-5/h4,12H,2-3H2,1H3,(H2,10,15)(H,11,16)
InChIKeyXRVJOFYLCXTXOB-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.12
Rot. Bonds5

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

3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 106412751) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID106412751
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C9H12N6O2S/c1-11-8(16)6-7(10)15-18-9(6)12-3-2-5-13-4-14-17-5/h4,12H,2-3H2,1H3,(H2,10,15)(H,11,16)
InChIKeyXRVJOFYLCXTXOB-UHFFFAOYSA-N
XLogP0.12
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide (CID 106412751) is 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is XRVJOFYLCXTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-11-8(16)6-7(10)15-18-9(6)12-3-2-5-13-4-14-17-5/h4,12H,2-3H2,1H3,(H2,10,15)(H,11,16).
What are the key properties of 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 268.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106412751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).