3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole

C16H27NS — CID 155109996

IUPAC3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
SMILESC=Cc1nscc1C(C)(CC)CCCCCCC
InChIInChI=1S/C16H27NS/c1-5-8-9-10-11-12-16(4,7-3)14-13-18-17-15(14)6-2/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyLSZUSOZQZMIWKG-UHFFFAOYSA-N
MW265.47 g/mol
LogP5.81
Rot. Bonds9

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

3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole (PubChem CID 155109996) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
PubChem CID155109996
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
SMILESC=Cc1nscc1C(C)(CC)CCCCCCC
InChIInChI=1S/C16H27NS/c1-5-8-9-10-11-12-16(4,7-3)14-13-18-17-15(14)6-2/h6,13H,2,5,7-12H2,1,3-4H3
InChIKeyLSZUSOZQZMIWKG-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.47
LogP ≤ 55.81
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-4-(2-methylpentan-2-yl)-1,2-thiazole
CID 126549452
3-ethynyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109993
3-ethynyl-4-(3-methylnonan-3-yl)-1,2-thiazole
CID 129132646
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
3-(3-methylnonan-3-yl)-1,2,4-thiadiazole
CID 166645014
3-ethenyl-1-methyl-5-(3-methyldecan-3-yl)pyrazole
CID 129140986
2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
CID 129256914
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
CID 129132669
3-ethenyl-1-methyl-5-(6-methyltridecan-6-yl)pyrazole
CID 167094263
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole?
The IUPAC name of 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole (CID 155109996) is 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole.
What is the SMILES notation for 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole?
The canonical SMILES for 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole is C=Cc1nscc1C(C)(CC)CCCCCCC.
What is the InChIKey of 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole?
The InChIKey is LSZUSOZQZMIWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-8-9-10-11-12-16(4,7-3)14-13-18-17-15(14)6-2/h6,13H,2,5,7-12H2,1,3-4H3.
What are the key properties of 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole?
3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole has a molecular weight of 265.47 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole is sourced from PubChem (CID 155109996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).