5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C14H8FNO2S2 — CID 63355771

IUPAC5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C14H8FNO2S2/c15-10-3-1-2-8(4-10)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h1-7H,(H,17,18)
InChIKeyGOQKCURMBDLWST-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.38
Rot. Bonds3

About 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 63355771) has the molecular formula C14H8FNO2S2 and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID63355771
Molecular FormulaC14H8FNO2S2
Molecular Weight305.36 g/mol
Exact Mass305.00
IUPAC Name5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C14H8FNO2S2/c15-10-3-1-2-8(4-10)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h1-7H,(H,17,18)
InChIKeyGOQKCURMBDLWST-UHFFFAOYSA-N
XLogP4.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542
5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 135975584
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
3-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 63540780
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 82732281
5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 79683650
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
3-[4-[4-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 118075231
5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 63355771) is 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is O=C(O)c1csc(-c2csc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is GOQKCURMBDLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S2/c15-10-3-1-2-8(4-10)13-16-11(7-20-13)12-5-9(6-19-12)14(17)18/h1-7H,(H,17,18).
What are the key properties of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 63355771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).