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

C10H17N3O2S — CID 65276499

IUPACethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H17N3O2S/c1-5-15-9(14)7(4)11-10-12-8(6(2)3)13-16-10/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyRIOHEXFJROZBCT-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.03
Rot. Bonds5

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

ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65276499) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65276499
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1nc(C(C)C)ns1
InChIInChI=1S/C10H17N3O2S/c1-5-15-9(14)7(4)11-10-12-8(6(2)3)13-16-10/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyRIOHEXFJROZBCT-UHFFFAOYSA-N
XLogP2.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 75515228
Methyl 3-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoate
CID 107304304
Methyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107304713
Ethyl 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107304838
Methyl 2-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 57228527
Methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 14749037
Ethyl 2-[[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]amino]acetate
CID 19317748
Ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetate
CID 65267448
Ethyl 2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65267455
Methyl 4-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentanoate
CID 65267484
Ethyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65267601
4-Methoxy-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65267719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65276499) is ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate is CCOC(=O)C(C)Nc1nc(C(C)C)ns1.
What is the InChIKey of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is RIOHEXFJROZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5-15-9(14)7(4)11-10-12-8(6(2)3)13-16-10/h6-7H,5H2,1-4H3,(H,11,12,13).
What are the key properties of ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate?
ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate has a molecular weight of 243.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65276499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).