methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate

C13H22N2O2S — CID 54883233

IUPACmethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate
SMILESCCc1ncc(CNC(CC(C)C)C(=O)OC)s1
InChIInChI=1S/C13H22N2O2S/c1-5-12-15-8-10(18-12)7-14-11(6-9(2)3)13(16)17-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyIAAKUYMUAWZIGO-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.38
Rot. Bonds7

About methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate

methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate (PubChem CID 54883233) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate
PubChem CID54883233
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate
SMILESCCc1ncc(CNC(CC(C)C)C(=O)OC)s1
InChIInChI=1S/C13H22N2O2S/c1-5-12-15-8-10(18-12)7-14-11(6-9(2)3)13(16)17-4/h8-9,11,14H,5-7H2,1-4H3
InChIKeyIAAKUYMUAWZIGO-UHFFFAOYSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate 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 2-{[(2-ethyl-1,3-thiazol-5-yl)methyl]amino}acetate
CID 60981922
Tert-butyl 4-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methylideneamino]pentanoate
CID 59016357
methyl (2S)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 59721323
Methyl 3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoate
CID 72367359
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 94948782
(2S)-3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 139573608
Tert-butyl 4-methyl-2-[(2-methylchloranuidyl-1,3-thiazol-5-yl)methylamino]pentanoate
CID 163422744
Methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate
CID 43782238
Methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-3-methylpentanoate
CID 43788449
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate
CID 47426191
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate
CID 47426221
Methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanoate
CID 54868546

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate (CID 54883233) is methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate is CCc1ncc(CNC(CC(C)C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate?
The InChIKey is IAAKUYMUAWZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-12-15-8-10(18-12)7-14-11(6-9(2)3)13(16)17-4/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate?
methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate has a molecular weight of 270.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methylpentanoate is sourced from PubChem (CID 54883233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).