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

C11H17FN2S — CID 112567413

IUPAC3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CC2(F)CCCC(N)C2)n1
InChIInChI=1S/C11H17FN2S/c1-8-7-15-10(14-8)6-11(12)4-2-3-9(13)5-11/h7,9H,2-6,13H2,1H3
InChIKeyYWAMXHCBWULNOK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.60
Rot. Bonds2

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

3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 112567413) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID112567413
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
SMILESCc1csc(CC2(F)CCCC(N)C2)n1
InChIInChI=1S/C11H17FN2S/c1-8-7-15-10(14-8)6-11(12)4-2-3-9(13)5-11/h7,9H,2-6,13H2,1H3
InChIKeyYWAMXHCBWULNOK-UHFFFAOYSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]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 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine (CID 112567413) is 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is Cc1csc(CC2(F)CCCC(N)C2)n1.
What is the InChIKey of 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is YWAMXHCBWULNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8-7-15-10(14-8)6-11(12)4-2-3-9(13)5-11/h7,9H,2-6,13H2,1H3.
What are the key properties of 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine?
3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 112567413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).