1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine

C13H20F3N3S — CID 106783438

IUPAC1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C13H20F3N3S/c1-19(2)12(6-4-3-5-7-12)10(17)9-8-18-11(20-9)13(14,15)16/h8,10H,3-7,17H2,1-2H3
InChIKeyJXLZFPNORMEFOH-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.43
Rot. Bonds3

About 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 106783438) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID106783438
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC Name1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)c2cnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C13H20F3N3S/c1-19(2)12(6-4-3-5-7-12)10(17)9-8-18-11(20-9)13(14,15)16/h8,10H,3-7,17H2,1-2H3
InChIKeyJXLZFPNORMEFOH-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118302998
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
CID 118303036
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303039
2-[2-(4,4-Difluorocyclohexyl)-1,3-thiazol-5-yl]-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 124183601
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
4,4-difluoro-N-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 176397657
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104212743
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104212901

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine (CID 106783438) is 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)c2cnc(C(F)(F)F)s2)CCCCC1.
What is the InChIKey of 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is JXLZFPNORMEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-19(2)12(6-4-3-5-7-12)10(17)9-8-18-11(20-9)13(14,15)16/h8,10H,3-7,17H2,1-2H3.
What are the key properties of 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 307.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106783438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).