5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole

C12H20FNS — CID 146378502

IUPAC5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1cnsc1F
InChIInChI=1S/C12H20FNS/c1-4-6-8-12(3,7-5-2)10-9-14-15-11(10)13/h9H,4-8H2,1-3H3
InChIKeyWNUZYAFRYCIWMP-UHFFFAOYSA-N
MW229.36 g/mol
LogP4.53
Rot. Bonds6

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

5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole (PubChem CID 146378502) has the molecular formula C12H20FNS and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole.

Molecular Properties

Compound Name5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
PubChem CID146378502
Molecular FormulaC12H20FNS
Molecular Weight229.36 g/mol
Exact Mass229.13
IUPAC Name5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1cnsc1F
InChIInChI=1S/C12H20FNS/c1-4-6-8-12(3,7-5-2)10-9-14-15-11(10)13/h9H,4-8H2,1-3H3
InChIKeyWNUZYAFRYCIWMP-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
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-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378435
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
2,5-difluoro-3-(6-methyldodecan-6-yl)-1H-pyrrole
CID 146377794
5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
2,4-dibromo-1-(5-methyldecan-5-yl)benzene
CID 134536089

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole?
The IUPAC name of 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole (CID 146378502) is 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole.
What is the SMILES notation for 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole?
The canonical SMILES for 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole is CCCCC(C)(CCC)c1cnsc1F.
What is the InChIKey of 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole?
The InChIKey is WNUZYAFRYCIWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNS/c1-4-6-8-12(3,7-5-2)10-9-14-15-11(10)13/h9H,4-8H2,1-3H3.
What are the key properties of 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole?
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole has a molecular weight of 229.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole is sourced from PubChem (CID 146378502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).