methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate

C7H10N2O2S — CID 735005

IUPACmethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N)sc1C(=O)OC
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)12-7(8)9-4/h3H2,1-2H3,(H2,8,9)
InChIKeyWCXOJOUWPHIVOU-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.07
Rot. Bonds2

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

methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 735005) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID735005
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1nc(N)sc1C(=O)OC
InChIInChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)12-7(8)9-4/h3H2,1-2H3,(H2,8,9)
InChIKeyWCXOJOUWPHIVOU-UHFFFAOYSA-N
XLogP1.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-4-ethyl-1,3-thiazole-5-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 methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate (CID 735005) is methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate is CCc1nc(N)sc1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is WCXOJOUWPHIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-4-5(6(10)11-2)12-7(8)9-4/h3H2,1-2H3,(H2,8,9).
What are the key properties of methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).