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

C10H17N3O2S — CID 82316839

IUPACethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate
SMILESCCCc1nnc(NCCC(=O)OCC)s1
InChIInChI=1S/C10H17N3O2S/c1-3-5-8-12-13-10(16-8)11-7-6-9(14)15-4-2/h3-7H2,1-2H3,(H,11,13)
InChIKeyJXYVGWLMNIRGSQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.86
Rot. Bonds7

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

ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate (PubChem CID 82316839) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate
PubChem CID82316839
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Nameethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate
SMILESCCCc1nnc(NCCC(=O)OCC)s1
InChIInChI=1S/C10H17N3O2S/c1-3-5-8-12-13-10(16-8)11-7-6-9(14)15-4-2/h3-7H2,1-2H3,(H,11,13)
InChIKeyJXYVGWLMNIRGSQ-UHFFFAOYSA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]propanoic acid
CID 82316841
ethyl 5-(5-acetamido-1,3,4-thiadiazol-2-yl)pentanoate
CID 144633513
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
methyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetate
CID 80613950
ethyl 3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]propanoate
CID 82316835
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 82109868

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate (CID 82316839) is ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate is CCCc1nnc(NCCC(=O)OCC)s1.
What is the InChIKey of ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
The InChIKey is JXYVGWLMNIRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-5-8-12-13-10(16-8)11-7-6-9(14)15-4-2/h3-7H2,1-2H3,(H,11,13).
What are the key properties of ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate?
ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate has a molecular weight of 243.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate is sourced from PubChem (CID 82316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).