methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

C12H21N3O2S — CID 80569626

IUPACmethyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCN(CC)CCNc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)8-7-13-12-14-9(3)10(18-12)11(16)17-4/h5-8H2,1-4H3,(H,13,14)
InChIKeyATIBORMGMXTHJZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.99
Rot. Bonds7

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

methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569626) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569626
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCN(CC)CCNc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C12H21N3O2S/c1-5-15(6-2)8-7-13-12-14-9(3)10(18-12)11(16)17-4/h5-8H2,1-4H3,(H,13,14)
InChIKeyATIBORMGMXTHJZ-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(diethylamino)ethylamino]-4-methyl-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

Related Compounds

methyl 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634
methyl 2-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569900
methyl 4-methyl-2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylate
CID 80569924
methyl 4-methyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
methyl 2-[3-(cyclopropylmethoxy)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 114098755
methyl 2-[2-(2-fluorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569591
methyl 4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 114516930
methyl 2-[(2-ethyltriazol-4-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573183
methyl 4-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 80686232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80569626) is methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCN(CC)CCNc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ATIBORMGMXTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(6-2)8-7-13-12-14-9(3)10(18-12)11(16)17-4/h5-8H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 271.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).