2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole

C17H29Cl2NS — CID 129162868

IUPAC2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole
SMILESCCCCCCCCC(CCCCC)c1sc(Cl)nc1Cl
InChIInChI=1S/C17H29Cl2NS/c1-3-5-7-8-9-11-13-14(12-10-6-4-2)15-16(18)20-17(19)21-15/h14H,3-13H2,1-2H3
InChIKeyAYNXKGKYDIOAOX-UHFFFAOYSA-N
MW350.40 g/mol
LogP7.86
Rot. Bonds12

About 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole

2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole (PubChem CID 129162868) has the molecular formula C17H29Cl2NS and a molecular weight of 350.40 g/mol. Its IUPAC name is 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole
PubChem CID129162868
Molecular FormulaC17H29Cl2NS
Molecular Weight350.40 g/mol
Exact Mass349.14
IUPAC Name2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole
SMILESCCCCCCCCC(CCCCC)c1sc(Cl)nc1Cl
InChIInChI=1S/C17H29Cl2NS/c1-3-5-7-8-9-11-13-14(12-10-6-4-2)15-16(18)20-17(19)21-15/h14H,3-13H2,1-2H3
InChIKeyAYNXKGKYDIOAOX-UHFFFAOYSA-N
XLogP7.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.40
LogP ≤ 57.86
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 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole?
The IUPAC name of 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole (CID 129162868) is 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole.
What is the SMILES notation for 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole?
The canonical SMILES for 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole is CCCCCCCCC(CCCCC)c1sc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole?
The InChIKey is AYNXKGKYDIOAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29Cl2NS/c1-3-5-7-8-9-11-13-14(12-10-6-4-2)15-16(18)20-17(19)21-15/h14H,3-13H2,1-2H3.
What are the key properties of 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole?
2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole has a molecular weight of 350.40 g/mol, XLogP of 7.86, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-tetradecan-6-yl-1,3-thiazole is sourced from PubChem (CID 129162868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).