ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate

C12H21N3O2S — CID 65275089

IUPACethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1nc(C(C)C)ns1
InChIInChI=1S/C12H21N3O2S/c1-5-7-15(8-10(16)17-6-2)12-13-11(9(3)4)14-18-12/h9H,5-8H2,1-4H3
InChIKeyPJDKVNJSARKKOY-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.44
Rot. Bonds7

About ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate

ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate (PubChem CID 65275089) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate
PubChem CID65275089
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nameethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)c1nc(C(C)C)ns1
InChIInChI=1S/C12H21N3O2S/c1-5-7-15(8-10(16)17-6-2)12-13-11(9(3)4)14-18-12/h9H,5-8H2,1-4H3
InChIKeyPJDKVNJSARKKOY-UHFFFAOYSA-N
XLogP2.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
Ethyl 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 19019766
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258566
Ethyl 2-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107305863
Ethyl 2-[propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107305866
Ethyl 2-[cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107305867
Methyl 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 107305870
Ethyl 2-[propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 113944104
Ethyl 3-isopropyl-[1,2,4]thiadiazole-5-carboxylate
CID 15389974
Ethyl cyanoformate;ethyl 3-propan-2-yl-1,2,4-thiadiazole-5-carboxylate
CID 88402604
Methyl 3-isopropyl-1,2,4-thiadiazole-5-carboxylate
CID 89493208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate (CID 65275089) is ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate is CCCN(CC(=O)OCC)c1nc(C(C)C)ns1.
What is the InChIKey of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate?
The InChIKey is PJDKVNJSARKKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-7-15(8-10(16)17-6-2)12-13-11(9(3)4)14-18-12/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate?
ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate has a molecular weight of 271.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-propylamino]acetate is sourced from PubChem (CID 65275089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).