1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid

C11H11NO2S2 — CID 82623256

IUPAC1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2nsc3ccsc23)CCCC1
InChIInChI=1S/C11H11NO2S2/c13-10(14)11(4-1-2-5-11)9-8-7(16-12-9)3-6-15-8/h3,6H,1-2,4-5H2,(H,13,14)
InChIKeyMQUJQVMHSCYQGJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.25
Rot. Bonds2

About 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid

1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid (PubChem CID 82623256) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid
PubChem CID82623256
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2nsc3ccsc23)CCCC1
InChIInChI=1S/C11H11NO2S2/c13-10(14)11(4-1-2-5-11)9-8-7(16-12-9)3-6-15-8/h3,6H,1-2,4-5H2,(H,13,14)
InChIKeyMQUJQVMHSCYQGJ-UHFFFAOYSA-N
XLogP3.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid (CID 82623256) is 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid is O=C(O)C1(c2nsc3ccsc23)CCCC1.
What is the InChIKey of 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid?
The InChIKey is MQUJQVMHSCYQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c13-10(14)11(4-1-2-5-11)9-8-7(16-12-9)3-6-15-8/h3,6H,1-2,4-5H2,(H,13,14).
What are the key properties of 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid?
1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid has a molecular weight of 253.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82623256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).