2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide

C9H11N5O2S — CID 106397198

IUPAC2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ncon2)cs1
InChIInChI=1S/C9H11N5O2S/c10-2-1-8-13-6(4-17-8)9(15)11-3-7-12-5-16-14-7/h4-5H,1-3,10H2,(H,11,15)
InChIKeyCYEJRKBBWDSQCZ-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.04
Rot. Bonds5

About 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 106397198) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID106397198
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ncon2)cs1
InChIInChI=1S/C9H11N5O2S/c10-2-1-8-13-6(4-17-8)9(15)11-3-7-12-5-16-14-7/h4-5H,1-3,10H2,(H,11,15)
InChIKeyCYEJRKBBWDSQCZ-UHFFFAOYSA-N
XLogP-0.04
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 106397198) is 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCc2ncon2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CYEJRKBBWDSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c10-2-1-8-13-6(4-17-8)9(15)11-3-7-12-5-16-14-7/h4-5H,1-3,10H2,(H,11,15).
What are the key properties of 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.29 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106397198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).