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

C15H24F2N2S — CID 105159068

IUPACN-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H24F2N2S/c1-3-8-18-14(9-13-10-20-11(2)19-13)12-4-6-15(16,17)7-5-12/h10,12,14,18H,3-9H2,1-2H3
InChIKeyQXMAGFDYMGAHAH-UHFFFAOYSA-N
MW302.43 g/mol
LogP4.19
Rot. Bonds6

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

N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 105159068) has the molecular formula C15H24F2N2S and a molecular weight of 302.43 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID105159068
Molecular FormulaC15H24F2N2S
Molecular Weight302.43 g/mol
Exact Mass302.16
IUPAC NameN-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1csc(C)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H24F2N2S/c1-3-8-18-14(9-13-10-20-11(2)19-13)12-4-6-15(16,17)7-5-12/h10,12,14,18H,3-9H2,1-2H3
InChIKeyQXMAGFDYMGAHAH-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218
N-[1-(2-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 63863655
[1-(4,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105231799
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
N-[1-(1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 79966820
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115388237
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
N-[1-(4-methoxyoxan-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116765137
1-(2-methyl-1,3-thiazol-4-yl)-N-propylhexan-2-amine
CID 62799003
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024019
N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664430
N-[1-(1-ethoxycyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 116762382

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 105159068) is N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1csc(C)n1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QXMAGFDYMGAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2S/c1-3-8-18-14(9-13-10-20-11(2)19-13)12-4-6-15(16,17)7-5-12/h10,12,14,18H,3-9H2,1-2H3.
What are the key properties of N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 302.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105159068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).