2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid

C15H10N4O2S — CID 167841931

IUPAC2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(/C=C/c2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C15H10N4O2S/c20-15(21)10-4-7-16-11(8-10)2-3-12-9-22-14(19-12)13-17-5-1-6-18-13/h1-9H,(H,20,21)/b3-2+
InChIKeyKGJGNOWBIIJSIA-NSCUHMNNSA-N
MW310.34 g/mol
LogP2.86
Rot. Bonds4

About 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid

2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid (PubChem CID 167841931) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid
PubChem CID167841931
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(/C=C/c2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C15H10N4O2S/c20-15(21)10-4-7-16-11(8-10)2-3-12-9-22-14(19-12)13-17-5-1-6-18-13/h1-9H,(H,20,21)/b3-2+
InChIKeyKGJGNOWBIIJSIA-NSCUHMNNSA-N
XLogP2.86
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-1-(2,4-difluorophenyl)-3-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 47056722
2-[2-(4-bromophenyl)ethenyl]pyridine-4-carboxylic acid
CID 126800632
2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
CID 170799749
2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid
CID 166282905
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826784
5-phenyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid
CID 75450965
2-(4-acetylsulfanylbut-1-enyl)pyridine-4-carboxylic acid
CID 170480181
2-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-4-carboxylic acid
CID 170494109
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-[(E)-2-(2-acetamido-1,3-thiazol-4-yl)ethenyl]-3-fluorobenzoic acid
CID 87182657
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
pyridine;pyridine-2,4-dicarboxylic acid
CID 159305579

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid (CID 167841931) is 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(/C=C/c2csc(-c3ncccn3)n2)c1.
What is the InChIKey of 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid?
The InChIKey is KGJGNOWBIIJSIA-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H10N4O2S/c20-15(21)10-4-7-16-11(8-10)2-3-12-9-22-14(19-12)13-17-5-1-6-18-13/h1-9H,(H,20,21)/b3-2+.
What are the key properties of 2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid?
2-[(E)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 2.86, 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-pyrimidin-2-yl-1,3-thiazol-4-yl)ethenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 167841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).