2-(4-prop-2-enylphenyl)-1,3-thiazole

C12H11NS — CID 91383546

IUPAC2-(4-prop-2-enylphenyl)-1,3-thiazole
SMILESC=CCc1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H11NS/c1-2-3-10-4-6-11(7-5-10)12-13-8-9-14-12/h2,4-9H,1,3H2
InChIKeyVUXLVDGXLXUBCB-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-prop-2-enylphenyl)-1,3-thiazole

2-(4-prop-2-enylphenyl)-1,3-thiazole (PubChem CID 91383546) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(4-prop-2-enylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-prop-2-enylphenyl)-1,3-thiazole
PubChem CID91383546
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2-(4-prop-2-enylphenyl)-1,3-thiazole
SMILESC=CCc1ccc(-c2nccs2)cc1
InChIInChI=1S/C12H11NS/c1-2-3-10-4-6-11(7-5-10)12-13-8-9-14-12/h2,4-9H,1,3H2
InChIKeyVUXLVDGXLXUBCB-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-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
2-[4-(1-fluoroprop-2-enyl)phenyl]-1,3-thiazole
CID 91119367
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
2-(6-prop-2-enyl-2-pyridinyl)-1,3-thiazole
CID 67815509
4-[4-(1,3-thiazol-2-yl)phenyl]butan-1-ol
CID 151644612
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
2-(4-prop-2-enylphenyl)pyrazine
CID 90916121
2-prop-2-enoxy-5-(1,3-thiazol-2-yl)benzonitrile
CID 174560732
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enylphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-prop-2-enylphenyl)-1,3-thiazole (CID 91383546) is 2-(4-prop-2-enylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-prop-2-enylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-prop-2-enylphenyl)-1,3-thiazole is C=CCc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-(4-prop-2-enylphenyl)-1,3-thiazole?
The InChIKey is VUXLVDGXLXUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-2-3-10-4-6-11(7-5-10)12-13-8-9-14-12/h2,4-9H,1,3H2.
What are the key properties of 2-(4-prop-2-enylphenyl)-1,3-thiazole?
2-(4-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-(4-prop-2-enylphenyl)-1,3-thiazole is sourced from PubChem (CID 91383546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).