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

C15H25NS — CID 129132669

IUPAC2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
SMILESC=Cc1nc(C(C)(C)CCCCCCC)cs1
InChIInChI=1S/C15H25NS/c1-5-7-8-9-10-11-15(3,4)13-12-17-14(6-2)16-13/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyPQSFEIHXGHPUCS-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.42
Rot. Bonds8

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

2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole (PubChem CID 129132669) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
PubChem CID129132669
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
SMILESC=Cc1nc(C(C)(C)CCCCCCC)cs1
InChIInChI=1S/C15H25NS/c1-5-7-8-9-10-11-15(3,4)13-12-17-14(6-2)16-13/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyPQSFEIHXGHPUCS-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

2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
CID 129256914
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
3-ethenyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109996
2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
CID 167202889
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
5-(2-methylnonan-2-yl)-1,2-thiazole
CID 146620702
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 130586456
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole?
The IUPAC name of 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole (CID 129132669) is 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole is C=Cc1nc(C(C)(C)CCCCCCC)cs1.
What is the InChIKey of 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole?
The InChIKey is PQSFEIHXGHPUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-7-8-9-10-11-15(3,4)13-12-17-14(6-2)16-13/h6,12H,2,5,7-11H2,1,3-4H3.
What are the key properties of 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole?
2-ethenyl-4-(2-methylnonan-2-yl)-1,3-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 2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole is sourced from PubChem (CID 129132669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).