2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole

C10H11F2NS — CID 59005883

IUPAC2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2=CCCCC2(F)F)s1
InChIInChI=1S/C10H11F2NS/c1-7-6-13-9(14-7)8-4-2-3-5-10(8,11)12/h4,6H,2-3,5H2,1H3
InChIKeyLQPGRBIPWOZRKC-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.65
Rot. Bonds1

About 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole

2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole (PubChem CID 59005883) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole
PubChem CID59005883
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(C2=CCCCC2(F)F)s1
InChIInChI=1S/C10H11F2NS/c1-7-6-13-9(14-7)8-4-2-3-5-10(8,11)12/h4,6H,2-3,5H2,1H3
InChIKeyLQPGRBIPWOZRKC-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole (CID 59005883) is 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole is Cc1cnc(C2=CCCCC2(F)F)s1.
What is the InChIKey of 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole?
The InChIKey is LQPGRBIPWOZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c1-7-6-13-9(14-7)8-4-2-3-5-10(8,11)12/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole?
2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole has a molecular weight of 215.27 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluorocyclohexen-1-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 59005883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).