5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole

C11H16FNS — CID 163942857

IUPAC5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2=CCCC(F)C2)SC(C)N1
InChIInChI=1S/C11H16FNS/c1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9/h4,8,10,13H,3,5-6H2,1-2H3
InChIKeyRSNMAFIZXIHFSS-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.35
Rot. Bonds1

About 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole

5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 163942857) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID163942857
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2=CCCC(F)C2)SC(C)N1
InChIInChI=1S/C11H16FNS/c1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9/h4,8,10,13H,3,5-6H2,1-2H3
InChIKeyRSNMAFIZXIHFSS-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole (CID 163942857) is 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole is CC1=C(C2=CCCC(F)C2)SC(C)N1.
What is the InChIKey of 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is RSNMAFIZXIHFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9/h4,8,10,13H,3,5-6H2,1-2H3.
What are the key properties of 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole?
5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 213.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 163942857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).