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

C12H20N2O2S — CID 103466445

IUPACmethyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCC(C)(C)CNc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C12H20N2O2S/c1-6-12(3,4)7-13-11-14-8(2)9(17-11)10(15)16-5/h6-7H2,1-5H3,(H,13,14)
InChIKeyFZDQFHUDGJPJRH-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.09
Rot. Bonds5

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

methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 103466445) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID103466445
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCC(C)(C)CNc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C12H20N2O2S/c1-6-12(3,4)7-13-11-14-8(2)9(17-11)10(15)16-5/h6-7H2,1-5H3,(H,13,14)
InChIKeyFZDQFHUDGJPJRH-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2,2-dimethylbutylamino)-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-(3,3,3-trifluoropropylamino)-1,3-thiazole-5-carboxylate
CID 80570205
methyl 2-[2-(diethylamino)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569626
methyl 4-methyl-2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylate
CID 80569924
methyl 4-chloro-2-[(2-hydroxy-2-methylbutyl)amino]-1,3-thiazole-5-carboxylate
CID 63963192
methyl 2-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569900
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-(2,3-dimethoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 114102391
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569883
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 2-[(3-ethylthiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570811
methyl 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carboxylate
CID 106044634

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 103466445) is methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCC(C)(C)CNc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FZDQFHUDGJPJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-6-12(3,4)7-13-11-14-8(2)9(17-11)10(15)16-5/h6-7H2,1-5H3,(H,13,14).
What are the key properties of methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 256.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 103466445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).