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

C13H22FNS — CID 146378496

IUPAC4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1nsc(C)c1F
InChIInChI=1S/C13H22FNS/c1-5-7-9-13(4,8-6-2)12-11(14)10(3)16-15-12/h5-9H2,1-4H3
InChIKeyIJUNBVLJUDBLSE-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.84
Rot. Bonds6

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

4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole (PubChem CID 146378496) has the molecular formula C13H22FNS and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
PubChem CID146378496
Molecular FormulaC13H22FNS
Molecular Weight243.39 g/mol
Exact Mass243.15
IUPAC Name4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
SMILESCCCCC(C)(CCC)c1nsc(C)c1F
InChIInChI=1S/C13H22FNS/c1-5-7-9-13(4,8-6-2)12-11(14)10(3)16-15-12/h5-9H2,1-4H3
InChIKeyIJUNBVLJUDBLSE-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378435
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378187
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
5-fluoro-1,4-dimethyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146376862
4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378249

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
The IUPAC name of 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole (CID 146378496) is 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole.
What is the SMILES notation for 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
The canonical SMILES for 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole is CCCCC(C)(CCC)c1nsc(C)c1F.
What is the InChIKey of 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
The InChIKey is IJUNBVLJUDBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNS/c1-5-7-9-13(4,8-6-2)12-11(14)10(3)16-15-12/h5-9H2,1-4H3.
What are the key properties of 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole?
4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole has a molecular weight of 243.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole is sourced from PubChem (CID 146378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).