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

C13H19F3N2S — CID 64756491

IUPACN-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C13H19F3N2S/c1-2-11(12-17-7-8-19-12)18-10-5-3-9(4-6-10)13(14,15)16/h7-11,18H,2-6H2,1H3
InChIKeyRXASOBKQCNVMFD-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.30
Rot. Bonds4

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

N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756491) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756491
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCC(NC1CCC(C(F)(F)F)CC1)c1nccs1
InChIInChI=1S/C13H19F3N2S/c1-2-11(12-17-7-8-19-12)18-10-5-3-9(4-6-10)13(14,15)16/h7-11,18H,2-6H2,1H3
InChIKeyRXASOBKQCNVMFD-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756491) is N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCC(NC1CCC(C(F)(F)F)CC1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RXASOBKQCNVMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-11(12-17-7-8-19-12)18-10-5-3-9(4-6-10)13(14,15)16/h7-11,18H,2-6H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).