methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate

C7H11N3O2S — CID 26343166

IUPACmethyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate
SMILESCCNc1nc(N)c(C(=O)OC)s1
InChIInChI=1S/C7H11N3O2S/c1-3-9-7-10-5(8)4(13-7)6(11)12-2/h3,8H2,1-2H3,(H,9,10)
InChIKeyRFVCEJGNHKGJHP-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.94
Rot. Bonds3

About methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate

methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 26343166) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate
PubChem CID26343166
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namemethyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate
SMILESCCNc1nc(N)c(C(=O)OC)s1
InChIInChI=1S/C7H11N3O2S/c1-3-9-7-10-5(8)4(13-7)6(11)12-2/h3,8H2,1-2H3,(H,9,10)
InChIKeyRFVCEJGNHKGJHP-UHFFFAOYSA-N
XLogP0.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-2-(ethylamino)-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 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate (CID 26343166) is methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate is CCNc1nc(N)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is RFVCEJGNHKGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-9-7-10-5(8)4(13-7)6(11)12-2/h3,8H2,1-2H3,(H,9,10).
What are the key properties of methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate?
methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 201.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(ethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 26343166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).