methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate

C10H16N2O2S — CID 62012526

IUPACmethyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
SMILESCCCN(CC(=O)OC)Cc1cscn1
InChIInChI=1S/C10H16N2O2S/c1-3-4-12(6-10(13)14-2)5-9-7-15-8-11-9/h7-8H,3-6H2,1-2H3
InChIKeyUUKFZAXBVGCBEX-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.53
Rot. Bonds6

About methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate

methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate (PubChem CID 62012526) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
PubChem CID62012526
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
SMILESCCCN(CC(=O)OC)Cc1cscn1
InChIInChI=1S/C10H16N2O2S/c1-3-4-12(6-10(13)14-2)5-9-7-15-8-11-9/h7-8H,3-6H2,1-2H3
InChIKeyUUKFZAXBVGCBEX-UHFFFAOYSA-N
XLogP1.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate
CID 78925765
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 79661265
methyl 2-[(5-bromothiophen-3-yl)methyl-propylamino]acetate
CID 62011184
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
methyl 2-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 62013509
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-[butan-2-yl(1,3-thiazol-4-ylmethyl)amino]acetic acid
CID 60833411

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate (CID 62012526) is methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate is CCCN(CC(=O)OC)Cc1cscn1.
What is the InChIKey of methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate?
The InChIKey is UUKFZAXBVGCBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-4-12(6-10(13)14-2)5-9-7-15-8-11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate?
methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate is sourced from PubChem (CID 62012526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).