2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

C8H10FNS — CID 99989040

IUPAC2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESFc1nc2c(s1)CCCCC2
InChIInChI=1S/C8H10FNS/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2
InChIKeyDCSXZGJKVXQFEK-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.55
Rot. Bonds

About 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (PubChem CID 99989040) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
PubChem CID99989040
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESFc1nc2c(s1)CCCCC2
InChIInChI=1S/C8H10FNS/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2
InChIKeyDCSXZGJKVXQFEK-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (CID 99989040) is 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is Fc1nc2c(s1)CCCCC2.
What is the InChIKey of 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The InChIKey is DCSXZGJKVXQFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2.
What are the key properties of 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole has a molecular weight of 171.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 99989040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).