methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate

C11H19N3O2S — CID 65274920

IUPACmethyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-8(2)10-12-11(17-13-10)14(3)7-5-6-9(15)16-4/h8H,5-7H2,1-4H3
InChIKeyRDFKWSWGWXQRPL-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.05
Rot. Bonds6

About methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate

methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate (PubChem CID 65274920) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
PubChem CID65274920
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Namemethyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-8(2)10-12-11(17-13-10)14(3)7-5-6-9(15)16-4/h8H,5-7H2,1-4H3
InChIKeyRDFKWSWGWXQRPL-UHFFFAOYSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate (CID 65274920) is methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate is COC(=O)CCCN(C)c1nc(C(C)C)ns1.
What is the InChIKey of methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate?
The InChIKey is RDFKWSWGWXQRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)10-12-11(17-13-10)14(3)7-5-6-9(15)16-4/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate?
methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate has a molecular weight of 257.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate is sourced from PubChem (CID 65274920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).