2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C10H16N2O3S — CID 79391240

IUPAC2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OCCOC(C)C
InChIInChI=1S/C10H16N2O3S/c1-6(2)14-4-5-15-10(13)8-7(3)12-16-9(8)11/h6H,4-5,11H2,1-3H3
InChIKeyAKMKKAGVQADLRM-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.62
Rot. Bonds5

About 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79391240) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79391240
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OCCOC(C)C
InChIInChI=1S/C10H16N2O3S/c1-6(2)14-4-5-15-10(13)8-7(3)12-16-9(8)11/h6H,4-5,11H2,1-3H3
InChIKeyAKMKKAGVQADLRM-UHFFFAOYSA-N
XLogP1.62
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 79391240) is 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is Cc1nsc(N)c1C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is AKMKKAGVQADLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(2)14-4-5-15-10(13)8-7(3)12-16-9(8)11/h6H,4-5,11H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 244.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79391240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).