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

C14H21F3N2S — CID 43747378

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCCC(C(F)(F)F)C2)c(C)s1
InChIInChI=1S/C14H21F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-6-4-5-11(7-12)14(15,16)17/h8,11-12,18H,4-7H2,1-3H3
InChIKeyNHSAKRCQUHTXHR-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.53
Rot. Bonds3

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747378) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747378
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCCC(C(F)(F)F)C2)c(C)s1
InChIInChI=1S/C14H21F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-6-4-5-11(7-12)14(15,16)17/h8,11-12,18H,4-7H2,1-3H3
InChIKeyNHSAKRCQUHTXHR-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115753114
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862030
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65197463
1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
CID 43745928
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 113278101
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747470
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133333839
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747378) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is Cc1nc(C(C)NC2CCCC(C(F)(F)F)C2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NHSAKRCQUHTXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-6-4-5-11(7-12)14(15,16)17/h8,11-12,18H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).