ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole

C13H18FNS — CID 170755442

IUPACethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
SMILESCC.CCC1(C)C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C11H12FNS.C2H6/c1-3-11(2)5-8(12)4-9-10(6-11)14-7-13-9;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyGZZFNNNOQHJGNN-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.01
Rot. Bonds1

About ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole

ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole (PubChem CID 170755442) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Nameethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
PubChem CID170755442
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Nameethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
SMILESCC.CCC1(C)C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C11H12FNS.C2H6/c1-3-11(2)5-8(12)4-9-10(6-11)14-7-13-9;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyGZZFNNNOQHJGNN-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
CID 170755631
5-Fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 170756304
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
5,5-Dimethylcyclohepta[d][1,3]thiazole;ethane
CID 141904835
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
5,7,7-Trimethylcyclohepta[d][1,3]thiazole
CID 142240545
(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
CID 142847482
Ethane;5-methylcyclohepta[d][1,3]thiazole
CID 143108302
7,7-Dimethylcyclohepta[d][1,3]thiazole
CID 143871736
Ethane;7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877837

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
The IUPAC name of ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole (CID 170755442) is ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
The canonical SMILES for ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole is CC.CCC1(C)C=C(F)C=c2ncsc2=C1.
What is the InChIKey of ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
The InChIKey is GZZFNNNOQHJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS.C2H6/c1-3-11(2)5-8(12)4-9-10(6-11)14-7-13-9;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole has a molecular weight of 239.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 170755442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).