4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

C10H15FN2S — CID 131067519

IUPAC4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESFC1CCC(NCc2cncs2)CC1
InChIInChI=1S/C10H15FN2S/c11-8-1-3-9(4-2-8)13-6-10-5-12-7-14-10/h5,7-9,13H,1-4,6H2
InChIKeySIFJAAUMOMCKFH-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.51
Rot. Bonds3

About 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine

4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 131067519) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID131067519
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
SMILESFC1CCC(NCc2cncs2)CC1
InChIInChI=1S/C10H15FN2S/c11-8-1-3-9(4-2-8)13-6-10-5-12-7-14-10/h5,7-9,13H,1-4,6H2
InChIKeySIFJAAUMOMCKFH-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine (CID 131067519) is 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is FC1CCC(NCc2cncs2)CC1.
What is the InChIKey of 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is SIFJAAUMOMCKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c11-8-1-3-9(4-2-8)13-6-10-5-12-7-14-10/h5,7-9,13H,1-4,6H2.
What are the key properties of 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine?
4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 131067519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).