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

C11H15F3N2S — CID 61171406

IUPACN-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1cscn1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)9-3-1-2-4-10(9)15-5-8-6-17-7-16-8/h6-7,9-10,15H,1-5H2
InChIKeySILQQJHPMCSPCB-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.35
Rot. Bonds3

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

N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 61171406) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID61171406
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1cscn1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)9-3-1-2-4-10(9)15-5-8-6-17-7-16-8/h6-7,9-10,15H,1-5H2
InChIKeySILQQJHPMCSPCB-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(1,3-thiazol-4-ylmethyl)cycloheptan-1-amine
CID 53587517
cis-(1S,2R)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 137984833
(4S)-N-(1,3-thiazol-4-ylmethyl)spiro[4.5]decan-4-amine
CID 164632300
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 171482120
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730469
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730751
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747490
N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 55143627
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 55220651

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 61171406) is N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is SILQQJHPMCSPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)9-3-1-2-4-10(9)15-5-8-6-17-7-16-8/h6-7,9-10,15H,1-5H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 61171406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).