methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate

C8H13N3O2S2 — CID 62188437

IUPACmethyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate
SMILESCCNc1snnc1CSCC(=O)OC
InChIInChI=1S/C8H13N3O2S2/c1-3-9-8-6(10-11-15-8)4-14-5-7(12)13-2/h9H,3-5H2,1-2H3
InChIKeyCTTNEROAHMQDBA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.38
Rot. Bonds6

About methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate

methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate (PubChem CID 62188437) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate
PubChem CID62188437
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Namemethyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate
SMILESCCNc1snnc1CSCC(=O)OC
InChIInChI=1S/C8H13N3O2S2/c1-3-9-8-6(10-11-15-8)4-14-5-7(12)13-2/h9H,3-5H2,1-2H3
InChIKeyCTTNEROAHMQDBA-UHFFFAOYSA-N
XLogP1.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate?
The IUPAC name of methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate (CID 62188437) is methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate is CCNc1snnc1CSCC(=O)OC.
What is the InChIKey of methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate?
The InChIKey is CTTNEROAHMQDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-3-9-8-6(10-11-15-8)4-14-5-7(12)13-2/h9H,3-5H2,1-2H3.
What are the key properties of methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate?
methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate has a molecular weight of 247.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]acetate is sourced from PubChem (CID 62188437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).