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

C12H17F3N2S — CID 64756123

IUPACN-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2S/c1-2-17-11(10-16-7-8-18-10)5-3-9(4-6-11)12(13,14)15/h7-9,17H,2-6H2,1H3
InChIKeyOQOYVQQBKLCLGX-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.70
Rot. Bonds3

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

N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756123) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756123
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nccs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2S/c1-2-17-11(10-16-7-8-18-10)5-3-9(4-6-11)12(13,14)15/h7-9,17H,2-6H2,1H3
InChIKeyOQOYVQQBKLCLGX-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
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-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756123) is N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCNC1(c2nccs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OQOYVQQBKLCLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-2-17-11(10-16-7-8-18-10)5-3-9(4-6-11)12(13,14)15/h7-9,17H,2-6H2,1H3.
What are the key properties of N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).