1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C12H17F3N2S — CID 64754912

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C(F)(F)F)CC2)sc1C
InChIInChI=1S/C12H17F3N2S/c1-7-8(2)18-10(17-7)11(16)5-3-9(4-6-11)12(13,14)15/h9H,3-6,16H2,1-2H3
InChIKeyNIIYOXRUOKSSMQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.67
Rot. Bonds1

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754912) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754912
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C(F)(F)F)CC2)sc1C
InChIInChI=1S/C12H17F3N2S/c1-7-8(2)18-10(17-7)11(16)5-3-9(4-6-11)12(13,14)15/h9H,3-6,16H2,1-2H3
InChIKeyNIIYOXRUOKSSMQ-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338265
4-Ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338656
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64539102
1-(4-Methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754910
1-(4-Propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754913
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754917
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755094
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755095
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755100
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755105
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756125
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756128

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754912) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is Cc1nc(C2(N)CCC(C(F)(F)F)CC2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NIIYOXRUOKSSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-7-8(2)18-10(17-7)11(16)5-3-9(4-6-11)12(13,14)15/h9H,3-6,16H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).