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

C11H18FNS — CID 146378187

IUPAC3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
SMILESCCCCC(C)(C)c1snc(F)c1C
InChIInChI=1S/C11H18FNS/c1-5-6-7-11(3,4)9-8(2)10(12)13-14-9/h5-7H2,1-4H3
InChIKeyIBKDERHFOVWUAJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.06
Rot. Bonds4

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

3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole (PubChem CID 146378187) has the molecular formula C11H18FNS and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
PubChem CID146378187
Molecular FormulaC11H18FNS
Molecular Weight215.34 g/mol
Exact Mass215.11
IUPAC Name3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole
SMILESCCCCC(C)(C)c1snc(F)c1C
InChIInChI=1S/C11H18FNS/c1-5-6-7-11(3,4)9-8(2)10(12)13-14-9/h5-7H2,1-4H3
InChIKeyIBKDERHFOVWUAJ-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378249
4-fluoro-5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378496
4-fluoro-2-(2-methylhexan-2-yl)furan
CID 146378699
4-(difluoromethyl)-3-fluoro-5-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146379003
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
3,5-dimethyl-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378435
5-chloro-3-fluoro-1-(5-methyldodecan-5-yl)pyrazole
CID 146377981
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474
5-fluoro-4-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378502
3,4-difluoro-2-(2-methylhexan-2-yl)furan
CID 146378479
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
5-bromo-3-(difluoromethyl)-4-methyl-1-(5-methyldodecan-5-yl)pyrazole
CID 146379009

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole?
The IUPAC name of 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole (CID 146378187) is 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole.
What is the SMILES notation for 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole?
The canonical SMILES for 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole is CCCCC(C)(C)c1snc(F)c1C.
What is the InChIKey of 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole?
The InChIKey is IBKDERHFOVWUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNS/c1-5-6-7-11(3,4)9-8(2)10(12)13-14-9/h5-7H2,1-4H3.
What are the key properties of 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole?
3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole has a molecular weight of 215.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(2-methylhexan-2-yl)-1,2-thiazole is sourced from PubChem (CID 146378187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).