N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H19F3N2S — CID 102609538

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(CCNC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H19F3N2S/c1-9-18-12(8-19-9)5-6-17-11-4-2-3-10(7-11)13(14,15)16/h8,10-11,17H,2-7H2,1H3
InChIKeyLRGUWGIQUXPVBO-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.70
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 102609538) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID102609538
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(CCNC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C13H19F3N2S/c1-9-18-12(8-19-9)5-6-17-11-4-2-3-10(7-11)13(14,15)16/h8,10-11,17H,2-7H2,1H3
InChIKeyLRGUWGIQUXPVBO-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 102609538) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1nc(CCNC2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LRGUWGIQUXPVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-9-18-12(8-19-9)5-6-17-11-4-2-3-10(7-11)13(14,15)16/h8,10-11,17H,2-7H2,1H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 102609538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).