3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole

C15H25NS — CID 126514041

IUPAC3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
SMILESC=Cc1cc(C(C)(CC)CCCCCC)sn1
InChIInChI=1S/C15H25NS/c1-5-8-9-10-11-15(4,7-3)14-12-13(6-2)16-17-14/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyBMWYQBGEOHEHKY-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.42
Rot. Bonds8

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

3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole (PubChem CID 126514041) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
PubChem CID126514041
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
SMILESC=Cc1cc(C(C)(CC)CCCCCC)sn1
InChIInChI=1S/C15H25NS/c1-5-8-9-10-11-15(4,7-3)14-12-13(6-2)16-17-14/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyBMWYQBGEOHEHKY-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.44
LogP ≤ 55.42
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

3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
CID 129140986
3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109996
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933
3-ethenyl-1-methyl-5-(6-methyltridecan-6-yl)pyrazole
CID 167094263
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
3-(3-methylnonan-3-yl)-1,2,4-thiadiazole
CID 166645014
5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one
CID 129214742
2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
CID 129256914
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
3-ethynyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109993
3-ethynyl-4-(3-methylnonan-3-yl)-1,2-thiazole
CID 129132646

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole?
The IUPAC name of 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole (CID 126514041) is 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole.
What is the SMILES notation for 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole?
The canonical SMILES for 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole is C=Cc1cc(C(C)(CC)CCCCCC)sn1.
What is the InChIKey of 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole?
The InChIKey is BMWYQBGEOHEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-8-9-10-11-15(4,7-3)14-12-13(6-2)16-17-14/h6,12H,2,5,7-11H2,1,3-4H3.
What are the key properties of 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole?
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole has a molecular weight of 251.44 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole is sourced from PubChem (CID 126514041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).