N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H21F3N2OS — CID 60982523

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCc1ncc(CNC2CCCC(OCC(F)(F)F)C2)s1
InChIInChI=1S/C14H21F3N2OS/c1-2-13-19-8-12(21-13)7-18-10-4-3-5-11(6-10)20-9-14(15,16)17/h8,10-11,18H,2-7,9H2,1H3
InChIKeyHUNKLUNZEMZPRX-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.69
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 60982523) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID60982523
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCc1ncc(CNC2CCCC(OCC(F)(F)F)C2)s1
InChIInChI=1S/C14H21F3N2OS/c1-2-13-19-8-12(21-13)7-18-10-4-3-5-11(6-10)20-9-14(15,16)17/h8,10-11,18H,2-7,9H2,1H3
InChIKeyHUNKLUNZEMZPRX-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 62760192
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64540774
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 64993188
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 65719983
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150109
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150111
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150112
N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783033
N-[2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783034
3-methoxy-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783096
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783097
3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783651

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 60982523) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCc1ncc(CNC2CCCC(OCC(F)(F)F)C2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is HUNKLUNZEMZPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-2-13-19-8-12(21-13)7-18-10-4-3-5-11(6-10)20-9-14(15,16)17/h8,10-11,18H,2-7,9H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 322.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 60982523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).