2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole

C19H33NS — CID 129028344

IUPAC2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole
SMILESC=Cc1ncc(C(C)(CCCCCC)CCCCCC)s1
InChIInChI=1S/C19H33NS/c1-5-8-10-12-14-19(4,15-13-11-9-6-2)17-16-20-18(7-3)21-17/h7,16H,3,5-6,8-15H2,1-2,4H3
InChIKeyJBMOMWKYSCEODG-UHFFFAOYSA-N
MW307.55 g/mol
LogP6.98
Rot. Bonds12

About 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole

2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole (PubChem CID 129028344) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole
PubChem CID129028344
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole
SMILESC=Cc1ncc(C(C)(CCCCCC)CCCCCC)s1
InChIInChI=1S/C19H33NS/c1-5-8-10-12-14-19(4,15-13-11-9-6-2)17-16-20-18(7-3)21-17/h7,16H,3,5-6,8-15H2,1-2,4H3
InChIKeyJBMOMWKYSCEODG-UHFFFAOYSA-N
XLogP6.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.98
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

5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-[(1-Fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
5-(1-Adamantyl)-2-methyl-1,3-thiazole
CID 4096176
2-(3-Methylbutyl)-5-(5-methylhexyl)-1,3-thiazole
CID 18683408
5-(5-Methylhexyl)-2-propan-2-yl-1,3-thiazole
CID 22891100
2-(5-Methylhexyl)-5-propan-2-yl-1,3-thiazole
CID 22891145
5-(2,2-Dimethylpropyl)-2-propan-2-yl-1,3-thiazole
CID 57919762
5-Butyl-2-tert-butyl-1,3-thiazole
CID 58210409
5-(2-Methylpropyl)-2-propan-2-yl-1,3-thiazole
CID 58499168
2,5-Bis(2-methylpropyl)-1,3-thiazole
CID 59202136
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole
CID 59476442

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole?
The IUPAC name of 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole (CID 129028344) is 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole.
What is the SMILES notation for 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole?
The canonical SMILES for 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole is C=Cc1ncc(C(C)(CCCCCC)CCCCCC)s1.
What is the InChIKey of 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole?
The InChIKey is JBMOMWKYSCEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-5-8-10-12-14-19(4,15-13-11-9-6-2)17-16-20-18(7-3)21-17/h7,16H,3,5-6,8-15H2,1-2,4H3.
What are the key properties of 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole?
2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole has a molecular weight of 307.55 g/mol, XLogP of 6.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(7-methyltridecan-7-yl)-1,3-thiazole is sourced from PubChem (CID 129028344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).