2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid

C14H7F2NO2S2 — CID 82227140

IUPAC2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2c(F)cccc2F)nc1-c1cccs1
InChIInChI=1S/C14H7F2NO2S2/c15-7-3-1-4-8(16)10(7)13-17-11(9-5-2-6-20-9)12(21-13)14(18)19/h1-6H,(H,18,19)
InChIKeySKKRQLIKVHFFGE-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.51
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid

2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227140) has the molecular formula C14H7F2NO2S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82227140
Molecular FormulaC14H7F2NO2S2
Molecular Weight323.35 g/mol
Exact Mass322.99
IUPAC Name2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2c(F)cccc2F)nc1-c1cccs1
InChIInChI=1S/C14H7F2NO2S2/c15-7-3-1-4-8(16)10(7)13-17-11(9-5-2-6-20-9)12(21-13)14(18)19/h1-6H,(H,18,19)
InChIKeySKKRQLIKVHFFGE-UHFFFAOYSA-N
XLogP4.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid (CID 82227140) is 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2c(F)cccc2F)nc1-c1cccs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SKKRQLIKVHFFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO2S2/c15-7-3-1-4-8(16)10(7)13-17-11(9-5-2-6-20-9)12(21-13)14(18)19/h1-6H,(H,18,19).
What are the key properties of 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).