2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole

C9H15NS — CID 132962086

IUPAC2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole
SMILESC=CC[C@H](CC)C1=NCCS1
InChIInChI=1S/C9H15NS/c1-3-5-8(4-2)9-10-6-7-11-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyXWVDOAXTPWUWAT-QMMMGPOBSA-N
MW169.29 g/mol
LogP2.73
Rot. Bonds4

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

2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 132962086) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole
PubChem CID132962086
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole
SMILESC=CC[C@H](CC)C1=NCCS1
InChIInChI=1S/C9H15NS/c1-3-5-8(4-2)9-10-6-7-11-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyXWVDOAXTPWUWAT-QMMMGPOBSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.73
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

N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
CID 90893189
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
N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
CID 163695829
Dimethyl-(3-methyl-1-prop-2-enylsulfanylpent-4-enylidene)azanium
CID 176089133
2-Pent-4-en-2-yl-4,5-dihydro-1,3-thiazole
CID 10931673
2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole
CID 132962087
ethyl 2-methyl-N-(4-methylhexa-1,5-dien-3-yl)propanimidothioate
CID 144178675

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole (CID 132962086) is 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole is C=CC[C@H](CC)C1=NCCS1.
What is the InChIKey of 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is XWVDOAXTPWUWAT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-5-8(4-2)9-10-6-7-11-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole?
2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132962086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).