trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate

C11H16N2O2S — CID 100615616

IUPACtrans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@@H]1NCc1cncs1
InChIInChI=1S/C11H16N2O2S/c1-15-11(14)9-3-2-4-10(9)13-6-8-5-12-7-16-8/h5,7,9-10,13H,2-4,6H2,1H3/t9-,10-/m0/s1
InChIKeyBGPNEJHQFYHRGZ-UWVGGRQHSA-N
MW240.33 g/mol
LogP1.57
Rot. Bonds4

About trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate

trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate (PubChem CID 100615616) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate
PubChem CID100615616
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nametrans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@@H]1NCc1cncs1
InChIInChI=1S/C11H16N2O2S/c1-15-11(14)9-3-2-4-10(9)13-6-8-5-12-7-16-8/h5,7,9-10,13H,2-4,6H2,1H3/t9-,10-/m0/s1
InChIKeyBGPNEJHQFYHRGZ-UWVGGRQHSA-N
XLogP1.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate (CID 100615616) is trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate is COC(=O)[C@H]1CCC[C@@H]1NCc1cncs1.
What is the InChIKey of trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate?
The InChIKey is BGPNEJHQFYHRGZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-11(14)9-3-2-4-10(9)13-6-8-5-12-7-16-8/h5,7,9-10,13H,2-4,6H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate?
trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(1,3-thiazol-5-ylmethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 100615616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).