2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole

C10H10N2S — CID 6529972

IUPAC2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
SMILESC(=C/c1ccccn1)\C1=NCCS1
InChIInChI=1S/C10H10N2S/c1-2-6-11-9(3-1)4-5-10-12-7-8-13-10/h1-6H,7-8H2/b5-4+
InChIKeyGLNIFLHZECFDNG-SNAWJCMRSA-N
MW190.27 g/mol
LogP2.24
Rot. Bonds2

About 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole

2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 6529972) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
PubChem CID6529972
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
SMILESC(=C/c1ccccn1)\C1=NCCS1
InChIInChI=1S/C10H10N2S/c1-2-6-11-9(3-1)4-5-10-12-7-8-13-10/h1-6H,7-8H2/b5-4+
InChIKeyGLNIFLHZECFDNG-SNAWJCMRSA-N
XLogP2.24
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Propylpyridine
CID 69320
2-Pentylpyridine
CID 16800
2-Pyridinemethanamine
CID 19509
2-Ethylpyridine
CID 7523
Pyridine-2-carbonitrile
CID 7522
2-Pyridinemethanethiol
CID 256071
2-Butylpyridine
CID 78750
2-Methyl-5-vinylpyridine
CID 8817

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole (CID 6529972) is 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole is C(=C/c1ccccn1)\C1=NCCS1.
What is the InChIKey of 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is GLNIFLHZECFDNG-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-6-11-9(3-1)4-5-10-12-7-8-13-10/h1-6H,7-8H2/b5-4+.
What are the key properties of 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole?
2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 190.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 6529972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).