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

C10H17N3O2S — CID 65276553

IUPACethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCCc1nsc(NC(C)C(=O)OCC)n1
InChIInChI=1S/C10H17N3O2S/c1-4-6-8-12-10(16-13-8)11-7(3)9(14)15-5-2/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyAYHNXGVMTVCPKE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.85
Rot. Bonds6

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

ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65276553) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65276553
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nameethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCCc1nsc(NC(C)C(=O)OCC)n1
InChIInChI=1S/C10H17N3O2S/c1-4-6-8-12-10(16-13-8)11-7(3)9(14)15-5-2/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyAYHNXGVMTVCPKE-UHFFFAOYSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 122050568
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418
3-methoxy-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 81078153
N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65276938
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
2-amino-N-(3-propyl-1,2,4-thiadiazol-5-yl)acetamide
CID 130736061
1-N,1-N-diethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276800
ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
CID 80985906
1-N,1-N-dimethyl-3-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 65276840

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65276553) is ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate is CCCc1nsc(NC(C)C(=O)OCC)n1.
What is the InChIKey of ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is AYHNXGVMTVCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-6-8-12-10(16-13-8)11-7(3)9(14)15-5-2/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate has a molecular weight of 243.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65276553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).