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

C13H20F2N2S — CID 105177928

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H20F2N2S/c1-2-17-12(7-11-8-16-9-18-11)10-3-5-13(14,15)6-4-10/h8-10,12,17H,2-7H2,1H3
InChIKeyQFZKUJJSXPVPNW-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.49
Rot. Bonds5

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

1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105177928) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105177928
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H20F2N2S/c1-2-17-12(7-11-8-16-9-18-11)10-3-5-13(14,15)6-4-10/h8-10,12,17H,2-7H2,1H3
InChIKeyQFZKUJJSXPVPNW-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.49
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)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (CID 105177928) is 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is QFZKUJJSXPVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-2-17-12(7-11-8-16-9-18-11)10-3-5-13(14,15)6-4-10/h8-10,12,17H,2-7H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 274.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105177928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).