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

C15H23F3N2S — CID 64755101

IUPACN-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2S/c1-4-19-14(13-20-12(9-21-13)10(2)3)7-5-11(6-8-14)15(16,17)18/h9-11,19H,4-8H2,1-3H3
InChIKeyAJLBLVLIUGRWIX-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.82
Rot. Bonds4

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

N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755101) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755101
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2S/c1-4-19-14(13-20-12(9-21-13)10(2)3)7-5-11(6-8-14)15(16,17)18/h9-11,19H,4-8H2,1-3H3
InChIKeyAJLBLVLIUGRWIX-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755101) is N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCNC1(c2nc(C(C)C)cs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AJLBLVLIUGRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-4-19-14(13-20-12(9-21-13)10(2)3)7-5-11(6-8-14)15(16,17)18/h9-11,19H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).