ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate

C12H20N4O2S — CID 71852853

IUPACethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1nsc(N(C)C)n1)C1CC1
InChIInChI=1S/C12H20N4O2S/c1-4-18-11(17)8-16(9-5-6-9)7-10-13-12(15(2)3)19-14-10/h9H,4-8H2,1-3H3
InChIKeyUAQWPGSCOCZUKT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.13
Rot. Bonds7

About ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate

ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate (PubChem CID 71852853) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate
PubChem CID71852853
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1nsc(N(C)C)n1)C1CC1
InChIInChI=1S/C12H20N4O2S/c1-4-18-11(17)8-16(9-5-6-9)7-10-13-12(15(2)3)19-14-10/h9H,4-8H2,1-3H3
InChIKeyUAQWPGSCOCZUKT-UHFFFAOYSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate (CID 71852853) is ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate is CCOC(=O)CN(Cc1nsc(N(C)C)n1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate?
The InChIKey is UAQWPGSCOCZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-18-11(17)8-16(9-5-6-9)7-10-13-12(15(2)3)19-14-10/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate?
ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate has a molecular weight of 284.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate is sourced from PubChem (CID 71852853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).