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

C6H9NS — CID 89114959

IUPAC2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESC/C=C/C1=NCCS1
InChIInChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyODBBQQZEFUKRPL-NSCUHMNNSA-N
MW127.21 g/mol
LogP1.71
Rot. Bonds1

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

2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 89114959) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID89114959
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESC/C=C/C1=NCCS1
InChIInChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h2-3H,4-5H2,1H3/b3-2+
InChIKeyODBBQQZEFUKRPL-NSCUHMNNSA-N
XLogP1.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole (CID 89114959) is 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole is C/C=C/C1=NCCS1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is ODBBQQZEFUKRPL-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NS/c1-2-3-6-7-4-5-8-6/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole?
2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 127.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 89114959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).