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

C10H17NS — CID 174626693

IUPAC2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCCCC=C(C)C1=NCCS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-9(2)10-11-7-8-12-10/h6H,3-5,7-8H2,1-2H3
InChIKeyUNJFWJVUOBZMJB-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.27
Rot. Bonds4

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

2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 174626693) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID174626693
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCCCC=C(C)C1=NCCS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-9(2)10-11-7-8-12-10/h6H,3-5,7-8H2,1-2H3
InChIKeyUNJFWJVUOBZMJB-UHFFFAOYSA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole (CID 174626693) is 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole is CCCCC=C(C)C1=NCCS1.
What is the InChIKey of 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is UNJFWJVUOBZMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-9(2)10-11-7-8-12-10/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174626693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).