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

C11H12FNS — CID 170755443

IUPAC7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
SMILESCCC1(C)C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C11H12FNS/c1-3-11(2)5-8(12)4-9-10(6-11)14-7-13-9/h4-7H,3H2,1-2H3
InChIKeyHCLVABPMEWXULD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.99
Rot. Bonds1

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

7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole (PubChem CID 170755443) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
PubChem CID170755443
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
SMILESCCC1(C)C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C11H12FNS/c1-3-11(2)5-8(12)4-9-10(6-11)14-7-13-9/h4-7H,3H2,1-2H3
InChIKeyHCLVABPMEWXULD-UHFFFAOYSA-N
XLogP1.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.99
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
7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
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
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 123560106
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
5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
CID 143657117

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
The IUPAC name of 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole (CID 170755443) is 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
The canonical SMILES for 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole is CCC1(C)C=C(F)C=c2ncsc2=C1.
What is the InChIKey of 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
The InChIKey is HCLVABPMEWXULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-3-11(2)5-8(12)4-9-10(6-11)14-7-13-9/h4-7H,3H2,1-2H3.
What are the key properties of 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole?
7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole has a molecular weight of 209.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 170755443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).