2-hexyl-4,5-dimethyl-1,3-thiazole

C11H19NS — CID 86087415

IUPAC2-hexyl-4,5-dimethyl-1,3-thiazole
SMILESCCCCCCc1nc(C)c(C)s1
InChIInChI=1S/C11H19NS/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
InChIKeyKVNSTYMROSOFEA-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.88
Rot. Bonds5

About 2-hexyl-4,5-dimethyl-1,3-thiazole

2-hexyl-4,5-dimethyl-1,3-thiazole (PubChem CID 86087415) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-hexyl-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-hexyl-4,5-dimethyl-1,3-thiazole
PubChem CID86087415
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-hexyl-4,5-dimethyl-1,3-thiazole
SMILESCCCCCCc1nc(C)c(C)s1
InChIInChI=1S/C11H19NS/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3
InChIKeyKVNSTYMROSOFEA-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.88
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-hexyl-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-hexyl-4,5-dimethyl-1,3-thiazole (CID 86087415) is 2-hexyl-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-hexyl-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-hexyl-4,5-dimethyl-1,3-thiazole is CCCCCCc1nc(C)c(C)s1.
What is the InChIKey of 2-hexyl-4,5-dimethyl-1,3-thiazole?
The InChIKey is KVNSTYMROSOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-4-5-6-7-8-11-12-9(2)10(3)13-11/h4-8H2,1-3H3.
What are the key properties of 2-hexyl-4,5-dimethyl-1,3-thiazole?
2-hexyl-4,5-dimethyl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 86087415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).