4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine

C9H13FN2S — CID 126985698

IUPAC4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(c2ccsn2)CC1
InChIInChI=1S/C9H13FN2S/c10-9(8-3-6-13-12-8)4-1-7(11)2-5-9/h3,6-7H,1-2,4-5,11H2
InChIKeyDFADTZSOENYYIV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.21
Rot. Bonds1

About 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine

4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine (PubChem CID 126985698) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine
PubChem CID126985698
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine
SMILESNC1CCC(F)(c2ccsn2)CC1
InChIInChI=1S/C9H13FN2S/c10-9(8-3-6-13-12-8)4-1-7(11)2-5-9/h3,6-7H,1-2,4-5,11H2
InChIKeyDFADTZSOENYYIV-UHFFFAOYSA-N
XLogP2.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine 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 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine (CID 126985698) is 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine is NC1CCC(F)(c2ccsn2)CC1.
What is the InChIKey of 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine?
The InChIKey is DFADTZSOENYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-9(8-3-6-13-12-8)4-1-7(11)2-5-9/h3,6-7H,1-2,4-5,11H2.
What are the key properties of 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine?
4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 126985698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).