trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate

C9H12N2O2S — CID 167228834

IUPACtrans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1nsc(C)n1
InChIInChI=1S/C9H12N2O2S/c1-3-13-9(12)7-4-6(7)8-10-5(2)14-11-8/h6-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyRCRUGNUNXMFWID-BQBZGAKWSA-N
MW212.27 g/mol
LogP1.51
Rot. Bonds3

About trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate (PubChem CID 167228834) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate
PubChem CID167228834
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Nametrans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1nsc(C)n1
InChIInChI=1S/C9H12N2O2S/c1-3-13-9(12)7-4-6(7)8-10-5(2)14-11-8/h6-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyRCRUGNUNXMFWID-BQBZGAKWSA-N
XLogP1.51
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 171735423
ethyl 2-(2-bromo-1,3-thiazol-4-yl)cyclopropane-1-carboxylate
CID 118432884
ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
CID 89415647
ethyl 2-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylate
CID 87938295
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
CID 101266257
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
ethyl 2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 153293789
ethyl 2-(5-chloropyrazin-2-yl)cyclopropane-1-carboxylate
CID 135262621

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate (CID 167228834) is trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1c1nsc(C)n1.
What is the InChIKey of trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate?
The InChIKey is RCRUGNUNXMFWID-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-13-9(12)7-4-6(7)8-10-5(2)14-11-8/h6-7H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 167228834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).