4-ethyl-2-hexyl-1,3-thiazole

C11H19NS — CID 55271529

IUPAC4-ethyl-2-hexyl-1,3-thiazole
SMILESCCCCCCc1nc(CC)cs1
InChIInChI=1S/C11H19NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h9H,3-8H2,1-2H3
InChIKeyGEAVQUKRDITJTP-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.83
Rot. Bonds6

About 4-ethyl-2-hexyl-1,3-thiazole

4-ethyl-2-hexyl-1,3-thiazole (PubChem CID 55271529) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 4-ethyl-2-hexyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-hexyl-1,3-thiazole
PubChem CID55271529
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name4-ethyl-2-hexyl-1,3-thiazole
SMILESCCCCCCc1nc(CC)cs1
InChIInChI=1S/C11H19NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h9H,3-8H2,1-2H3
InChIKeyGEAVQUKRDITJTP-UHFFFAOYSA-N
XLogP3.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.83
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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Related Compounds

2-octyl-4-propyl-1,3-thiazole
CID 86124626
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole
CID 122463121
2-heptyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 70025140
2-hexyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 54071761

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hexyl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-hexyl-1,3-thiazole (CID 55271529) is 4-ethyl-2-hexyl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-hexyl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-hexyl-1,3-thiazole is CCCCCCc1nc(CC)cs1.
What is the InChIKey of 4-ethyl-2-hexyl-1,3-thiazole?
The InChIKey is GEAVQUKRDITJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-3-5-6-7-8-11-12-10(4-2)9-13-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-hexyl-1,3-thiazole?
4-ethyl-2-hexyl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hexyl-1,3-thiazole is sourced from PubChem (CID 55271529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).