N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C14H21F3N2S — CID 105178076

IUPACN-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1cncs1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2S/c1-2-19-13(7-12-8-18-9-20-12)10-4-3-5-11(6-10)14(15,16)17/h8-11,13,19H,2-7H2,1H3
InChIKeyORVZXSIXYMRVHG-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.03
Rot. Bonds5

About N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105178076) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105178076
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1cncs1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2S/c1-2-19-13(7-12-8-18-9-20-12)10-4-3-5-11(6-10)14(15,16)17/h8-11,13,19H,2-7H2,1H3
InChIKeyORVZXSIXYMRVHG-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105178076) is N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is CCNC(Cc1cncs1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is ORVZXSIXYMRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-2-19-13(7-12-8-18-9-20-12)10-4-3-5-11(6-10)14(15,16)17/h8-11,13,19H,2-7H2,1H3.
What are the key properties of N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 306.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105178076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).