2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid

C15H17NO2S — CID 2560411

IUPAC2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C15H17NO2S/c17-14(18)10-15(7-3-4-8-15)9-13-16-11-5-1-2-6-12(11)19-13/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyTVRPZMALZMJHMK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.87
Rot. Bonds4

About 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid

2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid (PubChem CID 2560411) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid
PubChem CID2560411
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C15H17NO2S/c17-14(18)10-15(7-3-4-8-15)9-13-16-11-5-1-2-6-12(11)19-13/h1-2,5-6H,3-4,7-10H2,(H,17,18)
InChIKeyTVRPZMALZMJHMK-UHFFFAOYSA-N
XLogP3.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid (CID 2560411) is 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid is O=C(O)CC1(Cc2nc3ccccc3s2)CCCC1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid?
The InChIKey is TVRPZMALZMJHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-14(18)10-15(7-3-4-8-15)9-13-16-11-5-1-2-6-12(11)19-13/h1-2,5-6H,3-4,7-10H2,(H,17,18).
What are the key properties of 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid?
2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid has a molecular weight of 275.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]acetic acid is sourced from PubChem (CID 2560411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).