2-(3-prop-2-enylphenyl)-1,3-thiazole

C12H11NS — CID 141281428

IUPAC2-(3-prop-2-enylphenyl)-1,3-thiazole
SMILESC=CCc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H11NS/c1-2-4-10-5-3-6-11(9-10)12-13-7-8-14-12/h2-3,5-9H,1,4H2
InChIKeyQVAXTLLLCWPWIT-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-prop-2-enylphenyl)-1,3-thiazole

2-(3-prop-2-enylphenyl)-1,3-thiazole (PubChem CID 141281428) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(3-prop-2-enylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-prop-2-enylphenyl)-1,3-thiazole
PubChem CID141281428
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2-(3-prop-2-enylphenyl)-1,3-thiazole
SMILESC=CCc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H11NS/c1-2-4-10-5-3-6-11(9-10)12-13-7-8-14-12/h2-3,5-9H,1,4H2
InChIKeyQVAXTLLLCWPWIT-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-prop-2-enylphenyl)-1,3-thiazole
CID 91383546
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
CID 50878146
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole
CID 67815509
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 144669416
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
N-[(3-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936311
2-[3-[7-[3-(1,3-thiazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-thiazole
CID 121297684

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enylphenyl)-1,3-thiazole?
The IUPAC name of 2-(3-prop-2-enylphenyl)-1,3-thiazole (CID 141281428) is 2-(3-prop-2-enylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-prop-2-enylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-prop-2-enylphenyl)-1,3-thiazole is C=CCc1cccc(-c2nccs2)c1.
What is the InChIKey of 2-(3-prop-2-enylphenyl)-1,3-thiazole?
The InChIKey is QVAXTLLLCWPWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-2-4-10-5-3-6-11(9-10)12-13-7-8-14-12/h2-3,5-9H,1,4H2.
What are the key properties of 2-(3-prop-2-enylphenyl)-1,3-thiazole?
2-(3-prop-2-enylphenyl)-1,3-thiazole has a molecular weight of 201.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enylphenyl)-1,3-thiazole is sourced from PubChem (CID 141281428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).