trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate

C10H11NO3S — CID 69240202

IUPACtrans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H]1C(=O)c1nccs1
InChIInChI=1S/C10H11NO3S/c1-14-10(13)7-3-2-6(7)8(12)9-11-4-5-15-9/h4-7H,2-3H2,1H3/t6-,7-/m1/s1
InChIKeyLLBQGBOGKMVFRR-RNFRBKRXSA-N
MW225.27 g/mol
LogP1.52
Rot. Bonds3

About trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate

trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate (PubChem CID 69240202) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate
PubChem CID69240202
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Nametrans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H]1C(=O)c1nccs1
InChIInChI=1S/C10H11NO3S/c1-14-10(13)7-3-2-6(7)8(12)9-11-4-5-15-9/h4-7H,2-3H2,1H3/t6-,7-/m1/s1
InChIKeyLLBQGBOGKMVFRR-RNFRBKRXSA-N
XLogP1.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate (CID 69240202) is trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate is COC(=O)[C@@H]1CC[C@H]1C(=O)c1nccs1.
What is the InChIKey of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate?
The InChIKey is LLBQGBOGKMVFRR-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-14-10(13)7-3-2-6(7)8(12)9-11-4-5-15-9/h4-7H,2-3H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate?
trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate has a molecular weight of 225.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 69240202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).