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

C11H19N3O2S — CID 65275314

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

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

methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65275314) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65275314
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Namemethyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCN(CCC(=O)OC)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-5-14(7-6-9(15)16-4)11-12-10(8(2)3)13-17-11/h8H,5-7H2,1-4H3
InChIKeyFZBKQUWADRIWMH-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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Related Compounds

methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65274920
methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65275369
methyl 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107305865
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
CID 65270336
methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65270725
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408
N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107494081
3-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanenitrile
CID 65272434
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65275314) is methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate is CCN(CCC(=O)OC)c1nc(C(C)C)ns1.
What is the InChIKey of methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is FZBKQUWADRIWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-14(7-6-9(15)16-4)11-12-10(8(2)3)13-17-11/h8H,5-7H2,1-4H3.
What are the key properties of methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate 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 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65275314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).