ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate

C11H18N2O2S — CID 78907475

IUPACethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCCNc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-5-6-12-11-13-9(8-16-11)7-10(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyREACXCKTICJNGQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 78907475) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
PubChem CID78907475
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
SMILESCCCCNc1nc(CC(=O)OCC)cs1
InChIInChI=1S/C11H18N2O2S/c1-3-5-6-12-11-13-9(8-16-11)7-10(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyREACXCKTICJNGQ-UHFFFAOYSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
CID 82947003
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80576085
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 2-[2-(3-ethylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 114248792
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574669
ethyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 114188389
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
ethyl 2-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 106424088

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate (CID 78907475) is ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate is CCCCNc1nc(CC(=O)OCC)cs1.
What is the InChIKey of ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is REACXCKTICJNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-5-6-12-11-13-9(8-16-11)7-10(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 242.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78907475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).