2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid

C15H11NO2S2 — CID 723168

IUPAC2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H11NO2S2/c17-13(18)9-12-14(11-7-4-8-19-11)16-15(20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyCDQHUGOFVVCKHQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid

2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid (PubChem CID 723168) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
PubChem CID723168
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H11NO2S2/c17-13(18)9-12-14(11-7-4-8-19-11)16-15(20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyCDQHUGOFVVCKHQ-UHFFFAOYSA-N
XLogP4.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid (CID 723168) is 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is CDQHUGOFVVCKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S2/c17-13(18)9-12-14(11-7-4-8-19-11)16-15(20-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid?
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 301.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 723168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).