5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole

C8H11NS — CID 121275139

IUPAC5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(/C=C\C)NCS1
InChIInChI=1S/C8H11NS/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,2,6H2,1H3/b5-3-
InChIKeyMTQXBLYURZFZMC-HYXAFXHYSA-N
MW153.25 g/mol
LogP2.25
Rot. Bonds2

About 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole

5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole (PubChem CID 121275139) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
PubChem CID121275139
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(/C=C\C)NCS1
InChIInChI=1S/C8H11NS/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,2,6H2,1H3/b5-3-
InChIKeyMTQXBLYURZFZMC-HYXAFXHYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole (CID 121275139) is 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole is C=CC1=C(/C=C\C)NCS1.
What is the InChIKey of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The InChIKey is MTQXBLYURZFZMC-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-5-7-8(4-2)10-6-9-7/h3-5,9H,2,6H2,1H3/b5-3-.
What are the key properties of 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 121275139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).