3-hexadecyl-2H-1,3-thiazole

C19H37NS — CID 57301899

IUPAC3-hexadecyl-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCN1C=CSC1
InChIInChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-18H,2-16,19H2,1H3
InChIKeyDKXLJMJSMFGNGV-UHFFFAOYSA-N
MW311.58 g/mol
LogP6.95
Rot. Bonds15

About 3-hexadecyl-2H-1,3-thiazole

3-hexadecyl-2H-1,3-thiazole (PubChem CID 57301899) has the molecular formula C19H37NS and a molecular weight of 311.58 g/mol. Its IUPAC name is 3-hexadecyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-hexadecyl-2H-1,3-thiazole
PubChem CID57301899
Molecular FormulaC19H37NS
Molecular Weight311.58 g/mol
Exact Mass311.26
IUPAC Name3-hexadecyl-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCN1C=CSC1
InChIInChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-18H,2-16,19H2,1H3
InChIKeyDKXLJMJSMFGNGV-UHFFFAOYSA-N
XLogP6.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.58
LogP ≤ 56.95
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

3-butyl-2H-1,3-thiazole
CID 57017681
3-(4-tetradecoxybutyl)-2H-1,3-thiazole;hydroiodide
CID 173410750
3-(2-hexadecylsulfanylethyl)-2H-1,3-thiazole;hydroiodide
CID 173329959
3-[4-(3-octadecan-3-yloxypropoxy)butyl]-2H-1,3-thiazole;hydroiodide
CID 173410739
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1,3-di(nonyl)-2H-imidazole
CID 69395396

Frequently Asked Questions

What is the IUPAC name of 3-hexadecyl-2H-1,3-thiazole?
The IUPAC name of 3-hexadecyl-2H-1,3-thiazole (CID 57301899) is 3-hexadecyl-2H-1,3-thiazole.
What is the SMILES notation for 3-hexadecyl-2H-1,3-thiazole?
The canonical SMILES for 3-hexadecyl-2H-1,3-thiazole is CCCCCCCCCCCCCCCCN1C=CSC1.
What is the InChIKey of 3-hexadecyl-2H-1,3-thiazole?
The InChIKey is DKXLJMJSMFGNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-18H,2-16,19H2,1H3.
What are the key properties of 3-hexadecyl-2H-1,3-thiazole?
3-hexadecyl-2H-1,3-thiazole has a molecular weight of 311.58 g/mol, XLogP of 6.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadecyl-2H-1,3-thiazole is sourced from PubChem (CID 57301899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).