methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate

C11H18ClN3O3S — CID 62848698

IUPACmethyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOCCN(C)CCNc1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H18ClN3O3S/c1-15(6-7-17-2)5-4-13-11-14-9(12)8(19-11)10(16)18-3/h4-7H2,1-3H3,(H,13,14)
InChIKeyYZKOFYJVTSFPLN-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.57
Rot. Bonds8

About methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 62848698) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID62848698
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Namemethyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
SMILESCOCCN(C)CCNc1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H18ClN3O3S/c1-15(6-7-17-2)5-4-13-11-14-9(12)8(19-11)10(16)18-3/h4-7H2,1-3H3,(H,13,14)
InChIKeyYZKOFYJVTSFPLN-UHFFFAOYSA-N
XLogP1.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]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-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate (CID 62848698) is methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate is COCCN(C)CCNc1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is YZKOFYJVTSFPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-15(6-7-17-2)5-4-13-11-14-9(12)8(19-11)10(16)18-3/h4-7H2,1-3H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 307.80 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 62848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).