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

C13H19F3N2S — CID 64753674

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1csc(C(C)NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2S/c1-8-7-19-12(17-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h7,9-11,18H,3-6H2,1-2H3
InChIKeyWGIZCMWKXRYURS-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.22
Rot. Bonds3

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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753674) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753674
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1csc(C(C)NC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H19F3N2S/c1-8-7-19-12(17-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h7,9-11,18H,3-6H2,1-2H3
InChIKeyWGIZCMWKXRYURS-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Methyl-1,3-thiazol-2-yl)piperidine
CID 23404938
4-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)piperidine
CID 62541784
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56721252
1-cyclopropyl-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 75383313
(1S)-1-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 97353370
2-(4,4-Difluoropyrrolidin-2-yl)-4-methyl-1,3-thiazole
CID 57486684
2-[(2R)-4,4-difluoropyrrolidin-2-yl]-4-methyl-1,3-thiazole
CID 67452046
3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 68313460
3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 68313461
(1S,2S)-2-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-1-amine
CID 68749252
2-[2-(3-Azabicyclo[4.1.0]heptan-4-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 117045681
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 123345785

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753674) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1csc(C(C)NC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WGIZCMWKXRYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-8-7-19-12(17-8)9(2)18-11-5-3-10(4-6-11)13(14,15)16/h7,9-11,18H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).