2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid

C14H9N3O2S2 — CID 51102925

IUPAC2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(/C=C/c2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C14H9N3O2S2/c18-14(19)11-7-16-12(21-11)5-4-9-8-20-13(17-9)10-3-1-2-6-15-10/h1-8H,(H,18,19)/b5-4+
InChIKeyMLVMJAJOLQDUFU-SNAWJCMRSA-N
MW315.38 g/mol
LogP3.53
Rot. Bonds4

About 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid

2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 51102925) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
PubChem CID51102925
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(/C=C/c2csc(-c3ccccn3)n2)s1
InChIInChI=1S/C14H9N3O2S2/c18-14(19)11-7-16-12(21-11)5-4-9-8-20-13(17-9)10-3-1-2-6-15-10/h1-8H,(H,18,19)/b5-4+
InChIKeyMLVMJAJOLQDUFU-SNAWJCMRSA-N
XLogP3.53
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid (CID 51102925) is 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(/C=C/c2csc(-c3ccccn3)n2)s1.
What is the InChIKey of 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MLVMJAJOLQDUFU-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-14(19)11-7-16-12(21-11)5-4-9-8-20-13(17-9)10-3-1-2-6-15-10/h1-8H,(H,18,19)/b5-4+.
What are the key properties of 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid?
2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 51102925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).