5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole

C20H37NS — CID 139385072

IUPAC5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole
SMILESCCCCCCc1cnc(C(CCCCC)C(C)CCC)s1
InChIInChI=1S/C20H37NS/c1-5-8-10-12-14-18-16-21-20(22-18)19(15-11-9-6-2)17(4)13-7-3/h16-17,19H,5-15H2,1-4H3
InChIKeyKRFKSFVYBMETNH-UHFFFAOYSA-N
MW323.59 g/mol
LogP7.37
Rot. Bonds13

About 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole

5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole (PubChem CID 139385072) has the molecular formula C20H37NS and a molecular weight of 323.59 g/mol. Its IUPAC name is 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole
PubChem CID139385072
Molecular FormulaC20H37NS
Molecular Weight323.59 g/mol
Exact Mass323.26
IUPAC Name5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole
SMILESCCCCCCc1cnc(C(CCCCC)C(C)CCC)s1
InChIInChI=1S/C20H37NS/c1-5-8-10-12-14-18-16-21-20(22-18)19(15-11-9-6-2)17(4)13-7-3/h16-17,19H,5-15H2,1-4H3
InChIKeyKRFKSFVYBMETNH-UHFFFAOYSA-N
XLogP7.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.59
LogP ≤ 57.37
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

2,5-Dipropylthiazole
CID 588151
2-Methyl-5-propylthiazole
CID 574547
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-(4-Fluorobutyl)-2-methyl-1,3-thiazole
CID 141873778
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
2-Tridecan-7-yl-5-(trifluoromethyl)-1,3-thiazole
CID 169595109

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole?
The IUPAC name of 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole (CID 139385072) is 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole?
The canonical SMILES for 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole is CCCCCCc1cnc(C(CCCCC)C(C)CCC)s1.
What is the InChIKey of 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole?
The InChIKey is KRFKSFVYBMETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NS/c1-5-8-10-12-14-18-16-21-20(22-18)19(15-11-9-6-2)17(4)13-7-3/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole?
5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole has a molecular weight of 323.59 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-(4-methyldecan-5-yl)-1,3-thiazole is sourced from PubChem (CID 139385072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).