methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate

C12H20N2O3S — CID 82103021

IUPACmethyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate
SMILESCCC(CO)NCCc1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H20N2O3S/c1-3-9(7-15)13-5-4-11-14-10(8-18-11)6-12(16)17-2/h8-9,13,15H,3-7H2,1-2H3
InChIKeyWNLUXCGTMBQRMW-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.76
Rot. Bonds8

About methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 82103021) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate
PubChem CID82103021
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate
SMILESCCC(CO)NCCc1nc(CC(=O)OC)cs1
InChIInChI=1S/C12H20N2O3S/c1-3-9(7-15)13-5-4-11-14-10(8-18-11)6-12(16)17-2/h8-9,13,15H,3-7H2,1-2H3
InChIKeyWNLUXCGTMBQRMW-UHFFFAOYSA-N
XLogP0.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012
methyl 2-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80576697
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate (CID 82103021) is methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate is CCC(CO)NCCc1nc(CC(=O)OC)cs1.
What is the InChIKey of methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is WNLUXCGTMBQRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-9(7-15)13-5-4-11-14-10(8-18-11)6-12(16)17-2/h8-9,13,15H,3-7H2,1-2H3.
What are the key properties of methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 272.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(1-hydroxybutan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 82103021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).