2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole

C8H13NS — CID 132962087

IUPAC2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole
SMILESC=CC[C@@H](C)C1=NCCS1
InChIInChI=1S/C8H13NS/c1-3-4-7(2)8-9-5-6-10-8/h3,7H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyJGJNBIYGYNGMBX-SSDOTTSWSA-N
MW155.27 g/mol
LogP2.34
Rot. Bonds3

About 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole

2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 132962087) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole
PubChem CID132962087
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole
SMILESC=CC[C@@H](C)C1=NCCS1
InChIInChI=1S/C8H13NS/c1-3-4-7(2)8-9-5-6-10-8/h3,7H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyJGJNBIYGYNGMBX-SSDOTTSWSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.34
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-But-3-en-2-yl-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
CID 153231966
2-Prop-2-enyl-4,5-dihydro-1,3-thiazole
CID 69235546
pent-4-en-2-yl N-ethylethanimidothioate
CID 126621407
[(E)-3-methylbut-1-enyl] N,2-dimethylpropanimidothioate
CID 134353732
ethane;ethyl 2-methyl-N-(4-methylhexa-1,5-dien-3-yl)propanimidothioate
CID 144178674
2-But-3-en-2-yl-4,5-dihydro-1,3-thiazole
CID 144946163
6-methyl-2-propan-2-yl-6H-1,3-thiazine
CID 155154829
Dimethyl-(3-methyl-1-prop-2-enylsulfanylpent-4-enylidene)azanium
CID 176089133
Dimethyl-(3-methyl-1-prop-2-enylsulfanylpent-4-enylidene)azanium bromide
CID 177748448
2-Pent-4-en-2-yl-4,5-dihydro-1,3-thiazole
CID 10931673
2-But-3-enyl-4,5-dihydro-1,3-thiazole
CID 100981418
2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole
CID 132962086

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole (CID 132962087) is 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole is C=CC[C@@H](C)C1=NCCS1.
What is the InChIKey of 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is JGJNBIYGYNGMBX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-7(2)8-9-5-6-10-8/h3,7H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole?
2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).