4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide

C10H14N6O3S — CID 106412648

IUPAC4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCc2ncon2)s1
InChIInChI=1S/C10H14N6O3S/c1-18-3-2-12-10-15-8(11)7(20-10)9(17)13-4-6-14-5-19-16-6/h5H,2-4,11H2,1H3,(H,12,15)(H,13,17)
InChIKeyMIBBCIADWRWYKP-UHFFFAOYSA-N
MW298.33 g/mol
LogP0.10
Rot. Bonds7

About 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 106412648) has the molecular formula C10H14N6O3S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID106412648
Molecular FormulaC10H14N6O3S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NCc2ncon2)s1
InChIInChI=1S/C10H14N6O3S/c1-18-3-2-12-10-15-8(11)7(20-10)9(17)13-4-6-14-5-19-16-6/h5H,2-4,11H2,1H3,(H,12,15)(H,13,17)
InChIKeyMIBBCIADWRWYKP-UHFFFAOYSA-N
XLogP0.10
TPSA128.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106412668
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116669742
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830
4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673108
4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106150408
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668816
4-amino-2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668887

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 106412648) is 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NCc2ncon2)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MIBBCIADWRWYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3S/c1-18-3-2-12-10-15-8(11)7(20-10)9(17)13-4-6-14-5-19-16-6/h5H,2-4,11H2,1H3,(H,12,15)(H,13,17).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106412648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).