2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole

C7H11NS — CID 144946163

IUPAC2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESC=CC(C)C1=NCCS1
InChIInChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h3,6H,1,4-5H2,2H3
InChIKeyLADXLVKXNYAXRP-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.95
Rot. Bonds2

About 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole

2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 144946163) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID144946163
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESC=CC(C)C1=NCCS1
InChIInChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h3,6H,1,4-5H2,2H3
InChIKeyLADXLVKXNYAXRP-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.95
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
N-propan-2-yl-3H-thiophen-2-imine
CID 67744151
2-Prop-2-enyl-4,5-dihydro-1,3-thiazole
CID 69235546
methyl N-methylbut-3-enimidothioate
CID 91074924
N-methyl-3H-thiophen-2-imine
CID 123424228
[(E)-3-methylbut-1-enyl] N,2-dimethylpropanimidothioate
CID 134353732
6-methyl-2-propan-2-yl-6H-1,3-thiazine
CID 155154829
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
2-[(2R)-pent-4-en-2-yl]-4,5-dihydro-1,3-thiazole
CID 132962087
2-propan-2-ylsulfanyl-3H-pyrrole
CID 160482893

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole (CID 144946163) is 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole is C=CC(C)C1=NCCS1.
What is the InChIKey of 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is LADXLVKXNYAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole?
2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 144946163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).