ethene;2-ethynyl-4,5-dihydro-1,3-thiazole

C7H9NS — CID 160646815

IUPACethene;2-ethynyl-4,5-dihydro-1,3-thiazole
SMILESC#CC1=NCCS1.C=C
InChIInChI=1S/C5H5NS.C2H4/c1-2-5-6-3-4-7-5;1-2/h1H,3-4H2;1-2H2
InChIKeyRJWPNJDHGDOIRH-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.57
Rot. Bonds

About ethene;2-ethynyl-4,5-dihydro-1,3-thiazole

ethene;2-ethynyl-4,5-dihydro-1,3-thiazole (PubChem CID 160646815) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is ethene;2-ethynyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethene;2-ethynyl-4,5-dihydro-1,3-thiazole
PubChem CID160646815
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Nameethene;2-ethynyl-4,5-dihydro-1,3-thiazole
SMILESC#CC1=NCCS1.C=C
InChIInChI=1S/C5H5NS.C2H4/c1-2-5-6-3-4-7-5;1-2/h1H,3-4H2;1-2H2
InChIKeyRJWPNJDHGDOIRH-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4,5-dihydro-1,3-thiazol-2-yl(dimethoxy)silane
CID 174810247
2-(4,5-dihydro-1,3-thiazol-2-yl)pyridin-3-ol
CID 145161184
2-[(3S)-hex-5-en-3-yl]-4,5-dihydro-1,3-thiazole
CID 132962086
1-(azepan-1-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-1-one
CID 5024415
(2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol
CID 130736872
1-(4,5-dihydro-1,3-thiazol-2-yl)ethylidenehydrazine
CID 85230222
2-(4,5-dihydro-1,3-thiazol-2-yloxy)ethanol
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CID 3024539

Frequently Asked Questions

What is the IUPAC name of ethene;2-ethynyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of ethene;2-ethynyl-4,5-dihydro-1,3-thiazole (CID 160646815) is ethene;2-ethynyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for ethene;2-ethynyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for ethene;2-ethynyl-4,5-dihydro-1,3-thiazole is C#CC1=NCCS1.C=C.
What is the InChIKey of ethene;2-ethynyl-4,5-dihydro-1,3-thiazole?
The InChIKey is RJWPNJDHGDOIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS.C2H4/c1-2-5-6-3-4-7-5;1-2/h1H,3-4H2;1-2H2.
What are the key properties of ethene;2-ethynyl-4,5-dihydro-1,3-thiazole?
ethene;2-ethynyl-4,5-dihydro-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethynyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 160646815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).