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

C11H18N4O3S2 — CID 60708689

IUPACmethyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate
SMILESCCCSc1nsc(NC(=O)CN(C)CC(=O)OC)n1
InChIInChI=1S/C11H18N4O3S2/c1-4-5-19-11-13-10(20-14-11)12-8(16)6-15(2)7-9(17)18-3/h4-7H2,1-3H3,(H,12,13,14,16)
InChIKeyCGGRWZLHWCZWJM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.08
Rot. Bonds8

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

methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate (PubChem CID 60708689) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate
PubChem CID60708689
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Namemethyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate
SMILESCCCSc1nsc(NC(=O)CN(C)CC(=O)OC)n1
InChIInChI=1S/C11H18N4O3S2/c1-4-5-19-11-13-10(20-14-11)12-8(16)6-15(2)7-9(17)18-3/h4-7H2,1-3H3,(H,12,13,14,16)
InChIKeyCGGRWZLHWCZWJM-UHFFFAOYSA-N
XLogP1.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate (CID 60708689) is methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate is CCCSc1nsc(NC(=O)CN(C)CC(=O)OC)n1.
What is the InChIKey of methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate?
The InChIKey is CGGRWZLHWCZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-4-5-19-11-13-10(20-14-11)12-8(16)6-15(2)7-9(17)18-3/h4-7H2,1-3H3,(H,12,13,14,16).
What are the key properties of methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate?
methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate has a molecular weight of 318.42 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetate is sourced from PubChem (CID 60708689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).