ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate

C14H25N3O2S — CID 102998732

IUPACethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC)CCCN(C)C)n1
InChIInChI=1S/C14H25N3O2S/c1-5-17(9-7-8-16(3)4)14-15-12(11-20-14)10-13(18)19-6-2/h11H,5-10H2,1-4H3
InChIKeyAUIDCIHYPIHUFI-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.03
Rot. Bonds9

About ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 102998732) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID102998732
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nameethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC)CCCN(C)C)n1
InChIInChI=1S/C14H25N3O2S/c1-5-17(9-7-8-16(3)4)14-15-12(11-20-14)10-13(18)19-6-2/h11H,5-10H2,1-4H3
InChIKeyAUIDCIHYPIHUFI-UHFFFAOYSA-N
XLogP2.03
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]acetate
CID 80574171
ethyl 2-[2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576648
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673
N'-[4-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102998287
ethyl 2-[2-(4-fluoro-N-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80575049
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[2-[ethyl(oxolan-2-ylmethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575254
1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol
CID 102998002
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132
ethyl 2-[2-[2-cyanoethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate (CID 102998732) is ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(CC)CCCN(C)C)n1.
What is the InChIKey of ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AUIDCIHYPIHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17(9-7-8-16(3)4)14-15-12(11-20-14)10-13(18)19-6-2/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 299.44 g/mol, XLogP of 2.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 102998732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).