trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid

C11H13NO3S — CID 69242625

IUPACtrans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC[C@@H]1C(=O)c1nccs1
InChIInChI=1S/C11H13NO3S/c1-11(10(14)15)4-2-3-7(11)8(13)9-12-5-6-16-9/h5-7H,2-4H2,1H3,(H,14,15)/t7-,11+/m1/s1
InChIKeySXIPLYARADEEKI-HQJQHLMTSA-N
MW239.30 g/mol
LogP2.22
Rot. Bonds3

About trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid

trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 69242625) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID69242625
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Nametrans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)CCC[C@@H]1C(=O)c1nccs1
InChIInChI=1S/C11H13NO3S/c1-11(10(14)15)4-2-3-7(11)8(13)9-12-5-6-16-9/h5-7H,2-4H2,1H3,(H,14,15)/t7-,11+/m1/s1
InChIKeySXIPLYARADEEKI-HQJQHLMTSA-N
XLogP2.22
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid (CID 69242625) is trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid is C[C@]1(C(=O)O)CCC[C@@H]1C(=O)c1nccs1.
What is the InChIKey of trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is SXIPLYARADEEKI-HQJQHLMTSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-11(10(14)15)4-2-3-7(11)8(13)9-12-5-6-16-9/h5-7H,2-4H2,1H3,(H,14,15)/t7-,11+/m1/s1.
What are the key properties of trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid?
trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-methyl-2-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 69242625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).