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

C15H12N2O2S2 — CID 82732281

IUPAC5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCCc1cccnc1-c1nc(-c2cc(C(=O)O)cs2)cs1
InChIInChI=1S/C15H12N2O2S2/c1-2-9-4-3-5-16-13(9)14-17-11(8-21-14)12-6-10(7-20-12)15(18)19/h3-8H,2H2,1H3,(H,18,19)
InChIKeyUZWOVLMFDDDPGJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.19
Rot. Bonds4

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

5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 82732281) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID82732281
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCCc1cccnc1-c1nc(-c2cc(C(=O)O)cs2)cs1
InChIInChI=1S/C15H12N2O2S2/c1-2-9-4-3-5-16-13(9)14-17-11(8-21-14)12-6-10(7-20-12)15(18)19/h3-8H,2H2,1H3,(H,18,19)
InChIKeyUZWOVLMFDDDPGJ-UHFFFAOYSA-N
XLogP4.19
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-amine
CID 83107286
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 63355771
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152488
3-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitrile
CID 82733378
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-quinolin-6-ylthiophene-3-carboxylic acid
CID 81224740
5-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 107124569
5-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 116744515
5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 82732281) is 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is CCc1cccnc1-c1nc(-c2cc(C(=O)O)cs2)cs1.
What is the InChIKey of 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is UZWOVLMFDDDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-2-9-4-3-5-16-13(9)14-17-11(8-21-14)12-6-10(7-20-12)15(18)19/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 316.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 82732281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).