propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

C13H17N3O3S2 — CID 95636273

IUPACpropyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
SMILESCCCOC(=O)[C@H](C)Sc1nnc(-c2sc(C)nc2C)o1
InChIInChI=1S/C13H17N3O3S2/c1-5-6-18-12(17)8(3)20-13-16-15-11(19-13)10-7(2)14-9(4)21-10/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyGSIWCIJTQZIVCR-QMMMGPOBSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds6

About propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate (PubChem CID 95636273) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate.

Molecular Properties

Compound Namepropyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
PubChem CID95636273
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Namepropyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
SMILESCCCOC(=O)[C@H](C)Sc1nnc(-c2sc(C)nc2C)o1
InChIInChI=1S/C13H17N3O3S2/c1-5-6-18-12(17)8(3)20-13-16-15-11(19-13)10-7(2)14-9(4)21-10/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyGSIWCIJTQZIVCR-QMMMGPOBSA-N
XLogP3.24
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-(2-propan-2-yloxyethylsulfanyl)-1,3,4-oxadiazole
CID 75414072
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 43052842
1-(azocan-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 43047079
2-(2,4-dimethyl-1,3-thiazol-5-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole
CID 46531374
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
N-(cyclohexylmethyl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 128925322
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86921370
propyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 19199985
N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 78867244
ethyl 4-carbamoyl-5-[[2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-2-methylfuran-3-carboxylate
CID 24669932
N-benzhydryl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 46543156
N-[1-(2-chlorophenyl)ethyl]-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24652924

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The IUPAC name of propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate (CID 95636273) is propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate.
What is the SMILES notation for propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The canonical SMILES for propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate is CCCOC(=O)[C@H](C)Sc1nnc(-c2sc(C)nc2C)o1.
What is the InChIKey of propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The InChIKey is GSIWCIJTQZIVCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-5-6-18-12(17)8(3)20-13-16-15-11(19-13)10-7(2)14-9(4)21-10/h8H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate has a molecular weight of 327.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate is sourced from PubChem (CID 95636273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).