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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Launch Full Analysis

Related Compounds

5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005651
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole;iridium
CID 59005727
Iridium;5-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005737
5-Methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole
CID 59005758
2-Methyl-5-[[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazole
CID 71011209
2-(4-Fluorocyclohexa-2,4-dien-1-yl)-5-methyl-1,3-thiazole
CID 123527995
2-(4-Ethenyl-5-fluorocyclohexa-1,5-dien-1-yl)-5-propan-2-yl-1,3-thiazole
CID 129268017
Ethane;5-methyl-2-[5-methyl-5-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]-1,3-thiazole
CID 142277216
5-Methyl-2-(2,3,3,4,4,5,5,6,6-nonafluorocyclohexen-1-yl)-1,3-thiazole;5-methyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)-1,3-thiazole
CID 157936356
2-[(Z)-4,5-difluorohex-4-enyl]-5-methyl-1,3-thiazole
CID 158162032
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-5-methyl-1,3-thiazole
CID 59005728

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).