methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate

C12H21N3O2S — CID 113373026

IUPACmethyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate
SMILESCCN(CC)CCNC(C(=O)OC)c1cncs1
InChIInChI=1S/C12H21N3O2S/c1-4-15(5-2)7-6-14-11(12(16)17-3)10-8-13-9-18-10/h8-9,11,14H,4-7H2,1-3H3
InChIKeyJQBNFHGXDOVUMH-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.29
Rot. Bonds8

About methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate

methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate (PubChem CID 113373026) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate
PubChem CID113373026
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Namemethyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate
SMILESCCN(CC)CCNC(C(=O)OC)c1cncs1
InChIInChI=1S/C12H21N3O2S/c1-4-15(5-2)7-6-14-11(12(16)17-3)10-8-13-9-18-10/h8-9,11,14H,4-7H2,1-3H3
InChIKeyJQBNFHGXDOVUMH-UHFFFAOYSA-N
XLogP1.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
ethyl 2-[2-(diethylamino)ethylamino]-2-(3-methylimidazol-4-yl)acetate
CID 66117956
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572149
methyl (2S)-3-methyl-2-[1-(1,3-thiazol-5-yl)ethylamino]butanoate
CID 104865935
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
CID 102840263
2-[2-(diethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetamide
CID 79584534
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate (CID 113373026) is methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate is CCN(CC)CCNC(C(=O)OC)c1cncs1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate?
The InChIKey is JQBNFHGXDOVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15(5-2)7-6-14-11(12(16)17-3)10-8-13-9-18-10/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate?
methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate has a molecular weight of 271.39 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethylamino]-2-(1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 113373026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).