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

C7H8N2O2S — CID 153459233

IUPACtrans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1nncs1
InChIInChI=1S/C7H8N2O2S/c1-11-7(10)5-2-4(5)6-9-8-3-12-6/h3-5H,2H2,1H3/t4-,5-/m0/s1
InChIKeyRWOUWVNOFYPBSK-WHFBIAKZSA-N
MW184.22 g/mol
LogP0.81
Rot. Bonds2

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

trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 153459233) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate
PubChem CID153459233
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Nametrans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1c1nncs1
InChIInChI=1S/C7H8N2O2S/c1-11-7(10)5-2-4(5)6-9-8-3-12-6/h3-5H,2H2,1H3/t4-,5-/m0/s1
InChIKeyRWOUWVNOFYPBSK-WHFBIAKZSA-N
XLogP0.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate (CID 153459233) is trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1c1nncs1.
What is the InChIKey of trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is RWOUWVNOFYPBSK-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-11-7(10)5-2-4(5)6-9-8-3-12-6/h3-5H,2H2,1H3/t4-,5-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 184.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 153459233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).