1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine

C11H16F2N2S — CID 105178047

IUPAC1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N2S/c12-11(13)3-1-8(2-4-11)10(14)5-9-6-15-7-16-9/h6-8,10H,1-5,14H2
InChIKeyHTXVMALDZDFORN-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.84
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine

1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105178047) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105178047
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N2S/c12-11(13)3-1-8(2-4-11)10(14)5-9-6-15-7-16-9/h6-8,10H,1-5,14H2
InChIKeyHTXVMALDZDFORN-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105178047) is 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is HTXVMALDZDFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c12-11(13)3-1-8(2-4-11)10(14)5-9-6-15-7-16-9/h6-8,10H,1-5,14H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 246.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105178047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).