methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate

C12H20N2O3S — CID 80575758

IUPACmethyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCCOCCNc1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H20N2O3S/c1-3-4-6-17-7-5-13-12-14-10(9-18-12)8-11(15)16-2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyAJKAQDAFJRAQKI-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.09
Rot. Bonds9

About methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575758) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80575758
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCCOCCNc1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H20N2O3S/c1-3-4-6-17-7-5-13-12-14-10(9-18-12)8-11(15)16-2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyAJKAQDAFJRAQKI-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate 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

ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
CID 82947003
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
methyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715992
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80574916
methyl 2-[2-[2-(dimethylcarbamoylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 83117388
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
methyl 2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576697
methyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 106433870

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate (CID 80575758) is methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate is CCCCOCCNc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is AJKAQDAFJRAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-4-6-17-7-5-13-12-14-10(9-18-12)8-11(15)16-2/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 272.37 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).