3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole

C14H25NS — CID 146378435

IUPAC3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1c(C)nsc1C
InChIInChI=1S/C14H25NS/c1-6-8-10-14(5,9-7-2)13-11(3)15-16-12(13)4/h6-10H2,1-5H3
InChIKeyQECSWAPNKLUFMX-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.01
Rot. Bonds6

About 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole

3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole (PubChem CID 146378435) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
PubChem CID146378435
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1c(C)nsc1C
InChIInChI=1S/C14H25NS/c1-6-8-10-14(5,9-7-2)13-11(3)15-16-12(13)4/h6-10H2,1-5H3
InChIKeyQECSWAPNKLUFMX-UHFFFAOYSA-N
XLogP5.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378496
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
3,5-dimethyl-4-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 137470392
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
3,5-dimethyl-4-propyl-1,2-thiazole
CID 144788809
5-fluoro-1,3-dimethyl-4-(6-methyldodecan-6-yl)pyrazole
CID 146376882
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
5-methyl-3-(2-methylpentan-2-yl)-1,2,4-thiadiazole
CID 126698771
3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378187
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole?
The IUPAC name of 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole (CID 146378435) is 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole?
The canonical SMILES for 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole is CCCCC(C)(CCC)c1c(C)nsc1C.
What is the InChIKey of 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole?
The InChIKey is QECSWAPNKLUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-6-8-10-14(5,9-7-2)13-11(3)15-16-12(13)4/h6-10H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole?
3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole has a molecular weight of 239.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole is sourced from PubChem (CID 146378435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).