N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

C15H23F3N2S — CID 105178126

IUPACN-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2S/c1-2-7-20-14(8-13-9-19-10-21-13)11-3-5-12(6-4-11)15(16,17)18/h9-12,14,20H,2-8H2,1H3
InChIKeyXVVVNHXKKWYMNL-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.42
Rot. Bonds6

About N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine

N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (PubChem CID 105178126) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
PubChem CID105178126
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2S/c1-2-7-20-14(8-13-9-19-10-21-13)11-3-5-12(6-4-11)15(16,17)18/h9-12,14,20H,2-8H2,1H3
InChIKeyXVVVNHXKKWYMNL-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine (CID 105178126) is N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is CCCNC(Cc1cncs1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
The InChIKey is XVVVNHXKKWYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-2-7-20-14(8-13-9-19-10-21-13)11-3-5-12(6-4-11)15(16,17)18/h9-12,14,20H,2-8H2,1H3.
What are the key properties of N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine?
N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine is sourced from PubChem (CID 105178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).