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

C12H17F3N2S — CID 64754919

IUPACN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2S/c1-8-7-18-10(17-8)11(16-2)5-3-9(4-6-11)12(13,14)15/h7,9,16H,3-6H2,1-2H3
InChIKeyQBMOXOKTQYQZQS-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.62
Rot. Bonds2

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

N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754919) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754919
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCNC1(c2nc(C)cs2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2S/c1-8-7-18-10(17-8)11(16-2)5-3-9(4-6-11)12(13,14)15/h7,9,16H,3-6H2,1-2H3
InChIKeyQBMOXOKTQYQZQS-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254
N,1,5-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 81467519
N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55106298
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 64514285
6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63630641
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65085574
N-ethyl-3-methoxy-1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 106823127
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 51082353

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754919) is N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CNC1(c2nc(C)cs2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QBMOXOKTQYQZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-8-7-18-10(17-8)11(16-2)5-3-9(4-6-11)12(13,14)15/h7,9,16H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).