2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole

C10H17NS — CID 174561758

IUPAC2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole
SMILESCC=CCC(C)(C)C1=NCCS1
InChIInChI=1S/C10H17NS/c1-4-5-6-10(2,3)9-11-7-8-12-9/h4-5H,6-8H2,1-3H3
InChIKeyDVOGYGASJPOELU-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole

2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 174561758) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole
PubChem CID174561758
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole
SMILESCC=CCC(C)(C)C1=NCCS1
InChIInChI=1S/C10H17NS/c1-4-5-6-10(2,3)9-11-7-8-12-9/h4-5H,6-8H2,1-3H3
InChIKeyDVOGYGASJPOELU-UHFFFAOYSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.12
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 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole (CID 174561758) is 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole is CC=CCC(C)(C)C1=NCCS1.
What is the InChIKey of 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is DVOGYGASJPOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-5-6-10(2,3)9-11-7-8-12-9/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole?
2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 183.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhex-4-en-2-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174561758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).