5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole

C14H15NS — CID 156886524

IUPAC5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
SMILESC=C[C@H](C)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C14H15NS/c1-4-10(2)12-5-7-13(8-6-12)14-11(3)15-9-16-14/h4-10H,1H2,2-3H3/t10-/m0/s1
InChIKeyHCDOJLXMWVIXLI-JTQLQIEISA-N
MW229.35 g/mol
LogP4.41
Rot. Bonds3

About 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole

5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole (PubChem CID 156886524) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
PubChem CID156886524
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
SMILESC=C[C@H](C)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C14H15NS/c1-4-10(2)12-5-7-13(8-6-12)14-11(3)15-9-16-14/h4-10H,1H2,2-3H3/t10-/m0/s1
InChIKeyHCDOJLXMWVIXLI-JTQLQIEISA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.41
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

formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
N-tert-butyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
CID 171108393
1-but-3-en-2-yl-4-methylbenzene;ruthenium
CID 175031395
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
2-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]but-3-enyl]propane-2-sulfinamide
CID 171105161
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
2-(methylaminooxy)-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 176572970
(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethanamine
CID 168896537
N-methyl-2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propoxy]ethoxy]ethoxy]ethanamine
CID 146179209

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole (CID 156886524) is 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole is C=C[C@H](C)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole?
The InChIKey is HCDOJLXMWVIXLI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NS/c1-4-10(2)12-5-7-13(8-6-12)14-11(3)15-9-16-14/h4-10H,1H2,2-3H3/t10-/m0/s1.
What are the key properties of 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole?
5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole has a molecular weight of 229.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 156886524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).