5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole

C13H20FNS — CID 142201070

IUPAC5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)c(C2CCCCC2F)s1
InChIInChI=1S/C13H20FNS/c1-8(2)12-13(16-9(3)15-12)10-6-4-5-7-11(10)14/h8,10-11H,4-7H2,1-3H3
InChIKeyOGQIIFOCXUBXPQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP4.57
Rot. Bonds2

About 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole

5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole (PubChem CID 142201070) has the molecular formula C13H20FNS and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole
PubChem CID142201070
Molecular FormulaC13H20FNS
Molecular Weight241.37 g/mol
Exact Mass241.13
IUPAC Name5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)c(C2CCCCC2F)s1
InChIInChI=1S/C13H20FNS/c1-8(2)12-13(16-9(3)15-12)10-6-4-5-7-11(10)14/h8,10-11H,4-7H2,1-3H3
InChIKeyOGQIIFOCXUBXPQ-UHFFFAOYSA-N
XLogP4.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole (CID 142201070) is 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole is Cc1nc(C(C)C)c(C2CCCCC2F)s1.
What is the InChIKey of 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is OGQIIFOCXUBXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-8(2)12-13(16-9(3)15-12)10-6-4-5-7-11(10)14/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole?
5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 241.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 142201070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).