N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C15H23F3N2S — CID 106783344

IUPACN-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCC1CCC(C(NC)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H23F3N2S/c1-3-4-10-5-7-11(8-6-10)13(19-2)12-9-20-14(21-12)15(16,17)18/h9-11,13,19H,3-8H2,1-2H3
InChIKeyCMNBWVUKPCZWRR-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.03
Rot. Bonds5

About N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783344) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783344
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCC1CCC(C(NC)c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H23F3N2S/c1-3-4-10-5-7-11(8-6-10)13(19-2)12-9-20-14(21-12)15(16,17)18/h9-11,13,19H,3-8H2,1-2H3
InChIKeyCMNBWVUKPCZWRR-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785844
[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852
N-[(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783140
N-[thiolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783552
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106785515
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
N-[(5-methyloxolan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785658
[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106787152
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783344) is N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CCCC1CCC(C(NC)c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CMNBWVUKPCZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-3-4-10-5-7-11(8-6-10)13(19-2)12-9-20-14(21-12)15(16,17)18/h9-11,13,19H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 320.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).