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

C19H36ClNS — CID 175468738

IUPAC2-chloro-3-hexadecyl-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCN1C=CSC1Cl
InChIInChI=1S/C19H36ClNS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-22-19(21)20/h17-19H,2-16H2,1H3
InChIKeyAWJZSIHRPBUWFZ-UHFFFAOYSA-N
MW346.02 g/mol
LogP7.51
Rot. Bonds15

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

2-chloro-3-hexadecyl-2H-1,3-thiazole (PubChem CID 175468738) has the molecular formula C19H36ClNS and a molecular weight of 346.02 g/mol. Its IUPAC name is 2-chloro-3-hexadecyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-3-hexadecyl-2H-1,3-thiazole
PubChem CID175468738
Molecular FormulaC19H36ClNS
Molecular Weight346.02 g/mol
Exact Mass345.23
IUPAC Name2-chloro-3-hexadecyl-2H-1,3-thiazole
SMILESCCCCCCCCCCCCCCCCN1C=CSC1Cl
InChIInChI=1S/C19H36ClNS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-22-19(21)20/h17-19H,2-16H2,1H3
InChIKeyAWJZSIHRPBUWFZ-UHFFFAOYSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.02
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
2-ethyl-1-hexyl-3-pentadecyl-2H-imidazole
CID 69392641
2-ethyl-1-hexadecyl-3-pentadecyl-2H-imidazole
CID 69392466
2-ethyl-1-heptyl-3-octadecyl-2H-imidazole
CID 69388270
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-hexadecyl-2H-1,3-thiazole?
The IUPAC name of 2-chloro-3-hexadecyl-2H-1,3-thiazole (CID 175468738) is 2-chloro-3-hexadecyl-2H-1,3-thiazole.
What is the SMILES notation for 2-chloro-3-hexadecyl-2H-1,3-thiazole?
The canonical SMILES for 2-chloro-3-hexadecyl-2H-1,3-thiazole is CCCCCCCCCCCCCCCCN1C=CSC1Cl.
What is the InChIKey of 2-chloro-3-hexadecyl-2H-1,3-thiazole?
The InChIKey is AWJZSIHRPBUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36ClNS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18-22-19(21)20/h17-19H,2-16H2,1H3.
What are the key properties of 2-chloro-3-hexadecyl-2H-1,3-thiazole?
2-chloro-3-hexadecyl-2H-1,3-thiazole has a molecular weight of 346.02 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hexadecyl-2H-1,3-thiazole is sourced from PubChem (CID 175468738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).