5-but-3-enyl-2-methyl-1,3-thiazole

C8H11NS — CID 145451316

IUPAC5-but-3-enyl-2-methyl-1,3-thiazole
SMILESC=CCCc1cnc(C)s1
InChIInChI=1S/C8H11NS/c1-3-4-5-8-6-9-7(2)10-8/h3,6H,1,4-5H2,2H3
InChIKeyQSMIUBGVMUPBSI-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.57
Rot. Bonds3

About 5-but-3-enyl-2-methyl-1,3-thiazole

5-but-3-enyl-2-methyl-1,3-thiazole (PubChem CID 145451316) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-but-3-enyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-but-3-enyl-2-methyl-1,3-thiazole
PubChem CID145451316
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-but-3-enyl-2-methyl-1,3-thiazole
SMILESC=CCCc1cnc(C)s1
InChIInChI=1S/C8H11NS/c1-3-4-5-8-6-9-7(2)10-8/h3,6H,1,4-5H2,2H3
InChIKeyQSMIUBGVMUPBSI-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-but-3-enyl-2-methyl-1,3-thiazole (CID 145451316) is 5-but-3-enyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-but-3-enyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-but-3-enyl-2-methyl-1,3-thiazole is C=CCCc1cnc(C)s1.
What is the InChIKey of 5-but-3-enyl-2-methyl-1,3-thiazole?
The InChIKey is QSMIUBGVMUPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-4-5-8-6-9-7(2)10-8/h3,6H,1,4-5H2,2H3.
What are the key properties of 5-but-3-enyl-2-methyl-1,3-thiazole?
5-but-3-enyl-2-methyl-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 145451316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).