1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole

C10H15NS — CID 150620354

IUPAC1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole
SMILESC1=CC2(S3=CCNC3)CCC1C2
InChIInChI=1S/C10H15NS/c1-3-10(4-2-9(1)7-10)12-6-5-11-8-12/h1,3,6,9,11H,2,4-5,7-8H2
InChIKeyIVTQTAWDBOZLQX-UHFFFAOYSA-N
MW181.30 g/mol
LogP1.73
Rot. Bonds1

About 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole

1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole (PubChem CID 150620354) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole
PubChem CID150620354
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole
SMILESC1=CC2(S3=CCNC3)CCC1C2
InChIInChI=1S/C10H15NS/c1-3-10(4-2-9(1)7-10)12-6-5-11-8-12/h1,3,6,9,11H,2,4-5,7-8H2
InChIKeyIVTQTAWDBOZLQX-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-bicyclo[2.2.1]hept-5-enyl N-butylcarbamodithioate
CID 20649864
2-(2-Bicyclo[2.2.1]hept-5-enylsulfanyl)ethanamine
CID 57644150

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole?
The IUPAC name of 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole (CID 150620354) is 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole.
What is the SMILES notation for 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole?
The canonical SMILES for 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole is C1=CC2(S3=CCNC3)CCC1C2.
What is the InChIKey of 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole?
The InChIKey is IVTQTAWDBOZLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-10(4-2-9(1)7-10)12-6-5-11-8-12/h1,3,6,9,11H,2,4-5,7-8H2.
What are the key properties of 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole?
1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dihydro-2H-1,3-thiazole is sourced from PubChem (CID 150620354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).