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

C14H8ClNO3S2 — CID 135975584

IUPAC5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3ccc(O)c(Cl)c3)n2)c1
InChIInChI=1S/C14H8ClNO3S2/c15-9-3-7(1-2-11(9)17)13-16-10(6-21-13)12-4-8(5-20-12)14(18)19/h1-6,17H,(H,18,19)
InChIKeyLMJXSIDLMFKNEF-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.60
Rot. Bonds3

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

5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 135975584) has the molecular formula C14H8ClNO3S2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID135975584
Molecular FormulaC14H8ClNO3S2
Molecular Weight337.81 g/mol
Exact Mass336.96
IUPAC Name5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3ccc(O)c(Cl)c3)n2)c1
InChIInChI=1S/C14H8ClNO3S2/c15-9-3-7(1-2-11(9)17)13-16-10(6-21-13)12-4-8(5-20-12)14(18)19/h1-6,17H,(H,18,19)
InChIKeyLMJXSIDLMFKNEF-UHFFFAOYSA-N
XLogP4.60
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355771
5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 107124569
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 106817927
2-[2-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione
CID 166357818
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 82732281
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 135975584) is 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is O=C(O)c1csc(-c2csc(-c3ccc(O)c(Cl)c3)n2)c1.
What is the InChIKey of 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is LMJXSIDLMFKNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3S2/c15-9-3-7(1-2-11(9)17)13-16-10(6-21-13)12-4-8(5-20-12)14(18)19/h1-6,17H,(H,18,19).
What are the key properties of 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 337.81 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-4-hydroxyphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 135975584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).