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

C10H17NS — CID 175236973

IUPAC4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCCCC=C(C)C1CSC=N1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-9(2)10-7-12-8-11-10/h6,8,10H,3-5,7H2,1-2H3
InChIKeyIXLLVPWGUXBPOO-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.27
Rot. Bonds4

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

4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 175236973) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID175236973
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCCCC=C(C)C1CSC=N1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-9(2)10-7-12-8-11-10/h6,8,10H,3-5,7H2,1-2H3
InChIKeyIXLLVPWGUXBPOO-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole (CID 175236973) is 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole is CCCCC=C(C)C1CSC=N1.
What is the InChIKey of 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is IXLLVPWGUXBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-9(2)10-7-12-8-11-10/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole?
4-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 4-hept-2-en-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 175236973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).