2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid

C15H15NO2S2 — CID 80620280

IUPAC2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C2CCCS2)nc1-c1ccccc1
InChIInChI=1S/C15H15NO2S2/c17-13(18)9-12-14(10-5-2-1-3-6-10)16-15(20-12)11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H,17,18)
InChIKeyRSIPXBWFBBDVNS-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.01
Rot. Bonds4

About 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid

2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 80620280) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID80620280
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(C2CCCS2)nc1-c1ccccc1
InChIInChI=1S/C15H15NO2S2/c17-13(18)9-12-14(10-5-2-1-3-6-10)16-15(20-12)11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H,17,18)
InChIKeyRSIPXBWFBBDVNS-UHFFFAOYSA-N
XLogP4.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid (CID 80620280) is 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(C2CCCS2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RSIPXBWFBBDVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c17-13(18)9-12-14(10-5-2-1-3-6-10)16-15(20-12)11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H,17,18).
What are the key properties of 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 305.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 80620280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).