2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole

C11H10N2S — CID 67815509

IUPAC2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole
SMILESC=CCc1cccc(-c2nccs2)n1
InChIInChI=1S/C11H10N2S/c1-2-4-9-5-3-6-10(13-9)11-12-7-8-14-11/h2-3,5-8H,1,4H2
InChIKeyFDIDVIRJABGSBJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.93
Rot. Bonds3

About 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole

2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole (PubChem CID 67815509) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole
PubChem CID67815509
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole
SMILESC=CCc1cccc(-c2nccs2)n1
InChIInChI=1S/C11H10N2S/c1-2-4-9-5-3-6-10(13-9)11-12-7-8-14-11/h2-3,5-8H,1,4H2
InChIKeyFDIDVIRJABGSBJ-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
2-(4-prop-2-enylphenyl)-1,3-thiazole
CID 91383546
2-(6-ethoxy-2-pyridinyl)-1,3-thiazole
CID 56606761
2-prop-2-enylpyridine
CID 3015241
N-phenyl-6-(1,3-thiazol-2-yl)-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 140790959
6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine
CID 66809866
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 125014137
2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 175739771
N-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 142712821
[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]methanol
CID 69231355
N-(5-ethyl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
CID 69233935
CID 66669094
CID 66669094

Frequently Asked Questions

What is the IUPAC name of 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole (CID 67815509) is 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole is C=CCc1cccc(-c2nccs2)n1.
What is the InChIKey of 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole?
The InChIKey is FDIDVIRJABGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-9-5-3-6-10(13-9)11-12-7-8-14-11/h2-3,5-8H,1,4H2.
What are the key properties of 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole?
2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole has a molecular weight of 202.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 67815509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).