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

C11H5ClN2O2S3 — CID 107124569

IUPAC5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3ncc(Cl)s3)n2)c1
InChIInChI=1S/C11H5ClN2O2S3/c12-8-2-13-9(19-8)10-14-6(4-18-10)7-1-5(3-17-7)11(15)16/h1-4H,(H,15,16)
InChIKeyKEKYKLJHKJVFRV-UHFFFAOYSA-N
MW328.83 g/mol
LogP4.35
Rot. Bonds3

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

5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 107124569) has the molecular formula C11H5ClN2O2S3 and a molecular weight of 328.83 g/mol. Its IUPAC name is 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID107124569
Molecular FormulaC11H5ClN2O2S3
Molecular Weight328.83 g/mol
Exact Mass327.92
IUPAC Name5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2csc(-c3ncc(Cl)s3)n2)c1
InChIInChI=1S/C11H5ClN2O2S3/c12-8-2-13-9(19-8)10-14-6(4-18-10)7-1-5(3-17-7)11(15)16/h1-4H,(H,15,16)
InChIKeyKEKYKLJHKJVFRV-UHFFFAOYSA-N
XLogP4.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63549537
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-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355771
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 82732281
5-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355599
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
5-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114016544
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 107124569) is 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is O=C(O)c1csc(-c2csc(-c3ncc(Cl)s3)n2)c1.
What is the InChIKey of 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is KEKYKLJHKJVFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O2S3/c12-8-2-13-9(19-8)10-14-6(4-18-10)7-1-5(3-17-7)11(15)16/h1-4H,(H,15,16).
What are the key properties of 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 328.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107124569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).