3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole

C16H29NOS — CID 146376933

IUPAC3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
SMILESCCCCCCC(C)(CCCC)c1cc(OC)ns1
InChIInChI=1S/C16H29NOS/c1-5-7-9-10-12-16(3,11-8-6-2)14-13-15(18-4)17-19-14/h13H,5-12H2,1-4H3
InChIKeyNJQABUWEWQFLJP-UHFFFAOYSA-N
MW283.48 g/mol
LogP5.57
Rot. Bonds10

About 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole

3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole (PubChem CID 146376933) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
PubChem CID146376933
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
SMILESCCCCCCC(C)(CCCC)c1cc(OC)ns1
InChIInChI=1S/C16H29NOS/c1-5-7-9-10-12-16(3,11-8-6-2)14-13-15(18-4)17-19-14/h13H,5-12H2,1-4H3
InChIKeyNJQABUWEWQFLJP-UHFFFAOYSA-N
XLogP5.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600
2-(6-methyltridecan-6-yl)thiophene
CID 139342178
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
3-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377948
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474
1-methoxy-2-(9-methylnonadecan-9-yl)benzene
CID 135163718
4-(5-methylundecan-5-yl)pyridine
CID 146178387
4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
CID 146379321
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole?
The IUPAC name of 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole (CID 146376933) is 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole.
What is the SMILES notation for 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole?
The canonical SMILES for 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole is CCCCCCC(C)(CCCC)c1cc(OC)ns1.
What is the InChIKey of 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole?
The InChIKey is NJQABUWEWQFLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-5-7-9-10-12-16(3,11-8-6-2)14-13-15(18-4)17-19-14/h13H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole?
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole has a molecular weight of 283.48 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole is sourced from PubChem (CID 146376933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).