5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole

C11H16FNS — CID 170152111

IUPAC5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC2(F)CCCCC2)s1
InChIInChI=1S/C11H16FNS/c1-9-13-8-10(14-9)7-11(12)5-3-2-4-6-11/h8H,2-7H2,1H3
InChIKeyYZCZAFJQIUIFCY-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.67
Rot. Bonds2

About 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole

5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole (PubChem CID 170152111) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
PubChem CID170152111
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC2(F)CCCCC2)s1
InChIInChI=1S/C11H16FNS/c1-9-13-8-10(14-9)7-11(12)5-3-2-4-6-11/h8H,2-7H2,1H3
InChIKeyYZCZAFJQIUIFCY-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole (CID 170152111) is 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole is Cc1ncc(CC2(F)CCCCC2)s1.
What is the InChIKey of 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is YZCZAFJQIUIFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-9-13-8-10(14-9)7-11(12)5-3-2-4-6-11/h8H,2-7H2,1H3.
What are the key properties of 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole?
5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 213.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 170152111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).