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

C11H13NO3S — CID 69242630

IUPACtrans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H]1C(=O)c1nccs1
InChIInChI=1S/C11H13NO3S/c1-15-11(14)8-4-2-3-7(8)9(13)10-12-5-6-16-10/h5-8H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyHPEXVEAZRSVOEY-HTQZYQBOSA-N
MW239.30 g/mol
LogP1.92
Rot. Bonds3

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

trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate (PubChem CID 69242630) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate
PubChem CID69242630
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Nametrans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H]1C(=O)c1nccs1
InChIInChI=1S/C11H13NO3S/c1-15-11(14)8-4-2-3-7(8)9(13)10-12-5-6-16-10/h5-8H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyHPEXVEAZRSVOEY-HTQZYQBOSA-N
XLogP1.92
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.92
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)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate (CID 69242630) is trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC[C@H]1C(=O)c1nccs1.
What is the InChIKey of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate?
The InChIKey is HPEXVEAZRSVOEY-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-15-11(14)8-4-2-3-7(8)9(13)10-12-5-6-16-10/h5-8H,2-4H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate?
trans-methyl (1R,2R)-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.92, 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)cyclopentane-1-carboxylate is sourced from PubChem (CID 69242630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).