4-(2-methylpropyl)-2-undecyl-1,3-thiazole

C18H33NS — CID 122184889

IUPAC4-(2-methylpropyl)-2-undecyl-1,3-thiazole
SMILESCCCCCCCCCCCc1nc(CC(C)C)cs1
InChIInChI=1S/C18H33NS/c1-4-5-6-7-8-9-10-11-12-13-18-19-17(15-20-18)14-16(2)3/h15-16H,4-14H2,1-3H3
InChIKeyWKYNNGVEHMXIDJ-UHFFFAOYSA-N
MW295.54 g/mol
LogP6.41
Rot. Bonds12

About 4-(2-methylpropyl)-2-undecyl-1,3-thiazole

4-(2-methylpropyl)-2-undecyl-1,3-thiazole (PubChem CID 122184889) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-undecyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-undecyl-1,3-thiazole
PubChem CID122184889
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Name4-(2-methylpropyl)-2-undecyl-1,3-thiazole
SMILESCCCCCCCCCCCc1nc(CC(C)C)cs1
InChIInChI=1S/C18H33NS/c1-4-5-6-7-8-9-10-11-12-13-18-19-17(15-20-18)14-16(2)3/h15-16H,4-14H2,1-3H3
InChIKeyWKYNNGVEHMXIDJ-UHFFFAOYSA-N
XLogP6.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 56.41
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 4-(2-methylpropyl)-2-undecyl-1,3-thiazole?
The IUPAC name of 4-(2-methylpropyl)-2-undecyl-1,3-thiazole (CID 122184889) is 4-(2-methylpropyl)-2-undecyl-1,3-thiazole.
What is the SMILES notation for 4-(2-methylpropyl)-2-undecyl-1,3-thiazole?
The canonical SMILES for 4-(2-methylpropyl)-2-undecyl-1,3-thiazole is CCCCCCCCCCCc1nc(CC(C)C)cs1.
What is the InChIKey of 4-(2-methylpropyl)-2-undecyl-1,3-thiazole?
The InChIKey is WKYNNGVEHMXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-4-5-6-7-8-9-10-11-12-13-18-19-17(15-20-18)14-16(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-2-undecyl-1,3-thiazole?
4-(2-methylpropyl)-2-undecyl-1,3-thiazole has a molecular weight of 295.54 g/mol, XLogP of 6.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-undecyl-1,3-thiazole is sourced from PubChem (CID 122184889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).